IDs,molecule_pref_name,max_pChEMBL,max_pChEMBL_target,# Target Organisms,Target Organisms,# Known Targets,Known Targets,target_pref_name,smiles
CHEMBL94657,PATUPILONE,10.67,CHEMBL1075590,695,"Sus scrofa, Mus musculus, None, Plasmodium falciparum, Homo sapiens, Rattus norvegicus",695,"CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL613488, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612","AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, Pregnane X receptor, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, 1A9/ptx-10, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, MC-IXC",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL94657,PATUPILONE,10.67,CHEMBL1075590,695,"Sus scrofa, Mus musculus, None, Plasmodium falciparum, Homo sapiens, Rattus norvegicus",695,"CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL613488, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612","AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, Pregnane X receptor, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, 1A9/ptx-10, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, MC-IXC",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL449158,BRYOSTATIN,9.36,CHEMBL2996,664,"Homo sapiens, None, Rattus norvegicus",664,"CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL614069, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL2366120, CHEMBL2366181, CHEMBL614039, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL299, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2996, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL1075441, CHEMBL2366068, CHEMBL2366092, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL2366260, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612","AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, RPMI-8226, KOSC-2, TUR, CAS-1, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, NCI-H64, HL-60, SNU-387, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, A-431, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, Protein kinase C alpha, SCLC-21H, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, KG-1, HSC-3, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, ME-180, ML-2, SNU-475, MEL-HO, U-266, HOS, SNU-423, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, Protein kinase C delta, J82, MSTO-211H, DMS-153, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, LC-2-ad, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, MC-IXC",CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3
CHEMBL1201182,TEMSIROLIMUS,9.95,CHEMBL1075469,583,"Homo sapiens, None, Rattus norvegicus",583,"CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL390, CHEMBL614536, CHEMBL2366227, CHEMBL614487, CHEMBL1743128, CHEMBL2366127, CHEMBL614004, CHEMBL2366145, CHEMBL1075405, CHEMBL2366089, CHEMBL2366347, CHEMBL2366245, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL1075426, CHEMBL2366248, CHEMBL2366148, CHEMBL614069, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL5748, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL1075613, CHEMBL2366150, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL1075468, CHEMBL2366357, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL2366113, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL1075456, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL1075477, CHEMBL1075552, CHEMBL1075472, CHEMBL1075413, CHEMBL2366345, CHEMBL1075560, CHEMBL614317, CHEMBL2366374, CHEMBL1075557, CHEMBL1075580, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL1075462, CHEMBL615010, CHEMBL2366176, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366246, CHEMBL2366331, CHEMBL1075584, CHEMBL2366064, CHEMBL2366191, CHEMBL2366138, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366215, CHEMBL2366103, CHEMBL614931, CHEMBL614908, CHEMBL1075553, CHEMBL2366256, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL385, CHEMBL614645, CHEMBL2366164, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614197, CHEMBL613988, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614529, CHEMBL2366269, CHEMBL614514, CHEMBL1075532, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL614072, CHEMBL1075432, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL614348, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL2366212, CHEMBL384, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366136, CHEMBL614806, CHEMBL1075415, CHEMBL614913, CHEMBL1075493, CHEMBL2366336, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366134, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL2366105, CHEMBL612583, CHEMBL1075476, CHEMBL1075512, CHEMBL1075500, CHEMBL2366203, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366097, CHEMBL2366359, CHEMBL612262, CHEMBL614997, CHEMBL2366189, CHEMBL1075545, CHEMBL2366329, CHEMBL6020, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366158, CHEMBL1075428, CHEMBL1075540, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL613506, CHEMBL1075534, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL2366365, CHEMBL1075447, CHEMBL612796, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL1075598, CHEMBL5918, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL614894, CHEMBL2366250, CHEMBL612540, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL1075520, CHEMBL383, CHEMBL614056, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL612256, CHEMBL1075492, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366237, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366295, CHEMBL2366197, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL2366120, CHEMBL2366181, CHEMBL614039, CHEMBL614942, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL1075425, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL612518, CHEMBL2366308, CHEMBL2366162, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL1075451, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL615023, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075443, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366288, CHEMBL1075529, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL1075555, CHEMBL2366087, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL1075610, CHEMBL2366355, CHEMBL613868, CHEMBL2842, CHEMBL2366117, CHEMBL614586, CHEMBL613854, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366326, CHEMBL2366267, CHEMBL614519, CHEMBL2366350, CHEMBL2366069, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL2366124, CHEMBL1075398, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL1075383, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL1075441, CHEMBL2366068, CHEMBL2366092, CHEMBL1075449, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075527, CHEMBL1075597, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL392, CHEMBL2366260, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366196, CHEMBL2366373, CHEMBL2366285, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL2366364, CHEMBL614214, CHEMBL1075612, CHEMBL2366244","AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, LAN-6, SBC-5, LB2241-RCC, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, D-423MG, HT-3, NCI-H1770, NCI-H82, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, D-336MG, NEC8, Becker, NB13, 8305C, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Calu-6, HH, LS-411N, MIA PaCa-2, H9, MN-60, LB771-HNC, SK-PN-DW, IGROV-1, D-392MG, SW13, NCI-H1651, HTC-C3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, LN-405, NCI-H2342, TCC-SUP, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, COLO-824, M059J, NCI-H2087, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, COR-L23, MFE-280, NUGC-3, A498, CAL-85-1, GAMG, CAL-51, UMC-11, RCC10RGB, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, UACC-62, COLO-829, NCI-H2291, NCI-H358, SK-NEP-1, HCC1569, M14, SW-620, U-118-MG, ESS-1, RPMI-8226, KOSC-2, CAS-1, LNCaP, CAL-120, CAL-72, Canalicular multispecific organic anion transporter 1, RCM-1, HT, Huh-7, SCC-4, KP-4, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, EW-22, A549, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, MCF7, LS-1034, NCI-H1437, NCI-H446, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, BV-173, KY821, KLE, KNS-62, NCI-H23, KP-N-YN, CHL-1, IA-LM, MFH-ino, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, YH-13, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, PC-3, C32, BEN, KM-H2, NCI-H1793, H-EMC-SS, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, KYSE-270, NMC-G1, MG-63, NCI-H1304, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, A-431, BHY, MDA-MB-175-VII, SNU-C2B, SNU-449, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, CFPAC-1, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, OC-314, NCI-H2029, D-247MG, COLO-668, HuO9, NCI-H596, RERF-LC-MS, MLMA, HCT-15, CAL-39, RD, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, Bile salt export pump, DSH1, TE-5, DK-MG, Ca9-22, OVCAR-3, Calu-3, MDA-MB-453, NB17, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, NCI-H2052, KYSE-450, T98G, NCI-H1755, COLO-741, ECC10, AU565, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, NB5, SW1417, NCI-H1792, KYSE-510, QIMR-WIL, NB14, BT-474, Hs-578T, SK-HEP1, HuP-T4, SW872, NOMO-1, KYSE-70 cell line, SK-N-DZ, S-117, MZ2-MEL, SCC-25, C3A, HEL, Detroit562, NCI-H1355, TGBC11TKB, SAOS-2, HMV-2 cell line, LS-123, NCI-H661, IGR-1, A101D, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, BT-20, KINGS-1, LCLC-97TM1, COLO-679, HN, IST-SL1, ABC-1, RH-18, LU-135, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, HCC2218, TE-6, ACN, NCI-H1623, COLO-678, ES3, 8505C, SW982, PANC-03-27, SK-OV-3, SK-MES-1, TI-73, BALL-1, NON-PROTEIN TARGET, KG-1, HSC-3, U-251, BFTC-905, ONS-76, D-502MG, OE33, RH-1, GP5d, 23132-87, DMS-114, ASPC1, CW-2, SBC-1, SF-539, A673, ME-180, ML-2, MEL-HO, U-266, HOS, SNU-423, TGBC1TKB, BFTC-909, MOLT-13, DoTc2-4510, KNS-42, NCI-H1666, TE-10, EGI-1, OVCAR-5, SW1783, NCI-H1048, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, KU-19-19, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, NCI-H630, HCC 2998, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, NCI-H510A, SiHa, SK-MEL-2, NCI-H1563, G-402, NCI-H1975, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, CAL-62, ACHN, Multidrug resistance-associated protein 4, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, NCI-H1581, KE-37, RKO, COR-L88, HT55, ES6, KS-1, BT-549, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, D-566MG, SW48, ES5, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, EPLC-272H, J82, MSTO-211H, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, AM-38, NY, PFSK-1, NB69, NB7, LAMA-84, CAL-33, HGC-27, SW900, CTB-1, MC116, Ramos-2G6-4C10, 769-P, ZR-75-30, PC-14, HCT-116, SW 1116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, EW-3, NBsusSR, KYSE-150 cell line, SW 962, 697, NCI-H28, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, LC-2-ad, HCC1954, EOL1, KYSE-180, KALS-1, MMAC-SF, no-11, WM-115, Canalicular multispecific organic anion transporter 2, EFM-19, GCT, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, G-401, SK-LU-1, KARPAS-45, NCI-H292, NH-12, 647-V, SW 954, LU-139, BB65-RCC, D-542MG, KYSE-410, NCI-H1993, Kasumi 1, SCC-9, NCI-H69, KYSE-520 cell line, OAW-42, Serine/threonine-protein kinase mTOR, SK-MEL-1, L-363, MKN-1, EW-24, COLO-800, JAR, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, C8166, FTC-133, MC-IXC",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL413,SIROLIMUS,10.94,CHEMBL614860,403,"Mus musculus, Homo sapiens, None, Human immunodeficiency virus 1",403,"CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366353, CHEMBL2366066, CHEMBL2366227, CHEMBL614487, CHEMBL2366127, CHEMBL614628, CHEMBL2366145, CHEMBL2366067, CHEMBL2366252, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL2366292, CHEMBL1075511, CHEMBL2366248, CHEMBL2366148, CHEMBL2366078, CHEMBL2366362, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL2366275, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL2366166, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL2366357, CHEMBL2366323, CHEMBL614533, CHEMBL614886, CHEMBL2366113, CHEMBL1293231, CHEMBL2366119, CHEMBL614643, CHEMBL2366236, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL2366309, CHEMBL614917, CHEMBL2366296, CHEMBL2366188, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL2366262, CHEMBL2366274, CHEMBL2366144, CHEMBL614943, CHEMBL2366372, CHEMBL2366368, CHEMBL614277, CHEMBL4302, CHEMBL2366107, CHEMBL3401, CHEMBL2366345, CHEMBL2366354, CHEMBL2366200, CHEMBL1075580, CHEMBL2366174, CHEMBL2366291, CHEMBL614295, CHEMBL2366176, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL2366118, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1781868, CHEMBL2366064, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL612569, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614281, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL2366356, CHEMBL2366324, CHEMBL2366224, CHEMBL385, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL614771, CHEMBL2366238, CHEMBL2366198, CHEMBL2366310, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613988, CHEMBL2366271, CHEMBL2366228, CHEMBL2366204, CHEMBL614529, CHEMBL2366186, CHEMBL2366061, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL2366192, CHEMBL2366074, CHEMBL2366264, CHEMBL2366279, CHEMBL2366212, CHEMBL2366258, CHEMBL2366163, CHEMBL382, CHEMBL2366179, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL2366160, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614245, CHEMBL372, CHEMBL614300, CHEMBL2366317, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL2366335, CHEMBL2366311, CHEMBL2366108, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL614905, CHEMBL2366272, CHEMBL1075516, CHEMBL2366219, CHEMBL2366135, CHEMBL613997, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL378, CHEMBL2366363, CHEMBL614584, CHEMBL2366105, CHEMBL2366110, CHEMBL2366095, CHEMBL2366203, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL614997, CHEMBL2366189, CHEMBL2366329, CHEMBL614195, CHEMBL2366071, CHEMBL614241, CHEMBL2430, CHEMBL2366104, CHEMBL2366184, CHEMBL2366205, CHEMBL1697668, CHEMBL2366147, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL2366351, CHEMBL1075510, CHEMBL2366370, CHEMBL2366223, CHEMBL612440, CHEMBL2366250, CHEMBL2366294, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL2366146, CHEMBL2366233, CHEMBL2366226, CHEMBL2366341, CHEMBL614107, CHEMBL2366143, CHEMBL2366241, CHEMBL1902, CHEMBL2366209, CHEMBL614476, CHEMBL2366301, CHEMBL2366237, CHEMBL2366142, CHEMBL2366070, CHEMBL2366157, CHEMBL2366295, CHEMBL2366337, CHEMBL2366120, CHEMBL2366181, CHEMBL2366126, CHEMBL2366253, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366216, CHEMBL2366225, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL2366299, CHEMBL613530, CHEMBL2366168, CHEMBL2366114, CHEMBL2366308, CHEMBL2366162, CHEMBL614882, CHEMBL2366306, CHEMBL3622, CHEMBL340, CHEMBL2366094, CHEMBL2366334, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL2366254, CHEMBL2366319, CHEMBL2366369, CHEMBL2366194, CHEMBL2366185, CHEMBL2366156, CHEMBL1075600, CHEMBL614309, CHEMBL2366210, CHEMBL2366125, CHEMBL2366343, CHEMBL2052031, CHEMBL2366281, CHEMBL614940, CHEMBL2366106, CHEMBL2366087, CHEMBL2366149, CHEMBL2366273, CHEMBL2366153, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL2366167, CHEMBL2842, CHEMBL375, CHEMBL2366286, CHEMBL614167, CHEMBL2366081, CHEMBL2366235, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL2366170, CHEMBL2366079, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL4848, CHEMBL2366069, CHEMBL614588, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075579, CHEMBL2366333, CHEMBL2366190, CHEMBL2366231, CHEMBL2366085, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL613888, CHEMBL2366278, CHEMBL2366062, CHEMBL614803, CHEMBL1075604, CHEMBL2366123, CHEMBL2366330, CHEMBL2366165, CHEMBL2366086, CHEMBL2366211, CHEMBL614096, CHEMBL614934, CHEMBL2366312, CHEMBL2366366, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL2366068, CHEMBL2366092, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL614899, CHEMBL2366344, CHEMBL2366220, CHEMBL2366340, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL2366255, CHEMBL2366152, CHEMBL3397, CHEMBL2366260, CHEMBL612264, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL2366193, CHEMBL2366169, CHEMBL2366265, CHEMBL2366093, CHEMBL614916, CHEMBL2366364, CHEMBL613529","NCI-H226, Lu-65, CPC-N, LAN-6, LB2241-RCC, NCI-H1436, TE-1, BB30-HNC, P30-OHK, 8-MG-BA, DOHH-2, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, HCC1187, D-336MG, NEC8, Becker, NB13, GT3TKB, MHH-NB-11, MEG-01, Calu-6, LS-411N, HH, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, NCCIT, IST-SL2, EB-3, RS4-11, MZ1-PC, SJSA-1, EW-11, DU-4475, ES1, LB1047-RCC, SIG-M5, COLO-824, Unchecked, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, NB1, A498, SU-DHL-1, RCC10RGB, BL-41, TE-8, NCI-H128, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, SK-NEP-1, WSU-NHL, RPMI-8226, TUR, CAS-1, ARH-77, HT, YT, Programmed cell death protein 4, HOP-62, JVM-2, SCC-15, Peptidyl-prolyl cis-trans isomerase FKBP5, C2BBe1, EW-22, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, SK-LMS-1, OPM-2, LS-1034, T-lymphocytes, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CCRF-CEM, NCI-H64, HL-60, BV-173, KY821, KLE, NCI-H23, NCI-H322M, L-540, Daudi, IA-LM, MFH-ino, NCI-H2141, P-glycoprotein 1, no-10, HuTu80, HDLM-2, KU812 cell line, OVCAR-4, Human immunodeficiency virus 1, NCI-H1838, NOS-1, EKVX, TALL-1, KM-H2, EHEB, K562, BE-13, UACC-257, EW-12, NCI-H1650, RPMI 8402, NMC-G1, NCI-H1304, COLO-320-HSR, SHP77, NCI-H187, SNU-C2B, LC-1F, JIYOYE, GAK, NCI-H720, NTERA-2-cl-D1, GR-ST, SCLC-21H, D-247MG, COLO-668, MLMA, IST-MES1, SCC-3, NCI-H1155, DSH1, THP-1, TE-5, NCI-H1963, K052, NB17, NCI-H719, ATN-1, NB10, MZ7-mel, REH, J-RT3-T3-5, D283 Med, LB2518-MEL, DMS-79, LB373-MEL-D, A4-Fuk, Eukaryotic translation initation factor, A253 cell line, LU-165, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, LNCaP-Clone-FGC, QIMR-WIL, NB14, BT-474, SUP-T1, NCI-H1882, SK-MM-2, SW872, NOMO-1, FK506-binding protein 1A, SK-N-DZ, MZ2-MEL, NCI-H524, HEL, NCI-H1355, NCI-H2196, LS-123, A101D, CAL-148, NCI-H1522, Solute carrier organic anion transporter family member 1B1, HD-MY-Z, SF-126, SF-268, NCI-H209, OCI-AML2, DG-75, KINGS-1, IST-SL1, MHH-CALL-2, TGW, KURAMOCHI, SK-N-FI, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, ES3, SW982, P31-FUJ, KG-1, CESS, ONS-76, D-502MG, KARPAS-422, RH-1, DMS-114, CW-2, SBC-1, SF-539, LC4-1, ML-2, U-266, UACC-812, TGBC1TKB, T-cells, KNS-42, TE-10, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, RL, NCI-H2171, NCI-H716, A3-KAW, TE-11, TGBC24TKB, JVM-3, OMC-1, GCIY, L-428, Cytochrome P450 2C19, KARPAS-299, HCE-T, ES8, NCI-H510A, HCE-4, BC-3, SK-MEL-2, NCI-H2081, CP67-MEL, NCI-H747, VA-ES-BJ, CGTH-W-1, FK506-binding protein 1B, LP-1, HCC2157, EW-16, KGN, ALL-PO, TC-YIK, Cytochrome P450 3A4, NCI-H1581, CHP-126, ECC4, KE-37, RKO, COR-L88, ES6, KS-1, A704, Homo sapiens, MC-CAR, BC1 cell line, SNU-16, ES5, HCC1599, EW-18, SNU-5, TK-10, NCI-H1648, BOKU, CTV-1, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, GB-1, KM12, NCI-H345, NCI-H1395, HC-1, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, K5, DB, RL95-2, SH-4, MSTO-211H, DMS-153, COLO-684, NCI-N87, A388, NCI-H526, SW684, Cytochrome P450 2C9, MV4-11, Pregnane X receptor, AM-38, NB69, Mus musculus, NB7, LAMA-84, KMS-12-PE, CTB-1, MC116, Ramos-2G6-4C10, U-698-M, RXF 393, EW-3, GDM-1, TE-441-T, SW 962, ST486, SR, IMR-5, 697, NCI-H748, ES4, DEL, HAL-01, NKM-1, LC-2-ad, EOL1, KALS-1, MMAC-SF, no-11, KP-N-RT-BM-1, NCI-H889, MOLT-4, MONO-MAC-6, LOX IMVI, NB6, KARPAS-45, SIMA, CA46, NH-12, SW 954, PF-382, LU-139, BB65-RCC, SNU-C1, Kasumi 1, NCI-H1417, NCI-H69, Serine/threonine-protein kinase mTOR, SK-MEL-1, L-363, EW-24, IM-9, COLO-800, JAR, MDA-MB-134-VI, GI-1, SNU1, SKM-1, NALM-6, C8166",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL267345,AMPHOTERICIN B,10.46,CHEMBL612879,302,"Candida albicans SC5314, None, Trichophyton rubrum, Chlorocebus aethiops, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Bacillus subtilis, Leishmania chagasi, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Pichia kudriavzevii, Aspergillus fumigatus, Aspergillus flavus, Lichtheimia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, Candida glabrata, Leishmania donovani, Saccharomyces cerevisiae, Candida albicans, Leishmania major, Trichomonas vaginalis, Leishmania mexicana, Mus musculus, Cryptococcus neoformans, Leishmania peruviana, Leishmania infantum, Homo sapiens, Trichophyton mentagrophytes",302,"CHEMBL367, CHEMBL612881, CHEMBL612848, CHEMBL613915, CHEMBL612649, CHEMBL3301413, CHEMBL1293235, CHEMBL1293248, CHEMBL613107, CHEMBL399, CHEMBL612878, CHEMBL612545, CHEMBL612557, CHEMBL391, CHEMBL3563, CHEMBL612870, CHEMBL612790, CHEMBL614245, CHEMBL395, CHEMBL613162, CHEMBL361, CHEMBL612880, CHEMBL612558, CHEMBL2366908, CHEMBL612841, CHEMBL368, CHEMBL612348, CHEMBL612877, CHEMBL612879, CHEMBL378, CHEMBL385, CHEMBL612647, CHEMBL612868, CHEMBL614040, CHEMBL363, CHEMBL366, CHEMBL384, CHEMBL358, CHEMBL4159, CHEMBL614955, CHEMBL3879801, CHEMBL612369, CHEMBL612884, CHEMBL365, CHEMBL613215, CHEMBL614696","HT-29, K562, 4'-phosphopantetheinyl transferase ffp, Unchecked, PBMC, Candida albicans SC5314, HeLa, Trichophyton rubrum, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Leishmania chagasi, HepG2, Lymphoblastoid cells, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Aspergillus fumigatus, Issatchenkia orientalis, Aspergillus flavus, J774.A1, Leishmania infantum, Absidia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, NON-PROTEIN TARGET, Candida glabrata, THP-1, Leishmania donovani, Saccharomyces cerevisiae, Prelamin-A/C, Candida albicans, Leishmania major, Filobasidiella neoformans, Trichomonas vaginalis, Leishmania mexicana, RAW264.7, Leishmania peruviana, Vero, ADMET, Trichophyton mentagrophytes",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL267345,AMPHOTERICIN B,10.46,CHEMBL612879,302,"Candida albicans SC5314, None, Trichophyton rubrum, Chlorocebus aethiops, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Bacillus subtilis, Leishmania chagasi, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Pichia kudriavzevii, Aspergillus fumigatus, Aspergillus flavus, Lichtheimia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, Candida glabrata, Leishmania donovani, Saccharomyces cerevisiae, Candida albicans, Leishmania major, Trichomonas vaginalis, Leishmania mexicana, Mus musculus, Cryptococcus neoformans, Leishmania peruviana, Leishmania infantum, Homo sapiens, Trichophyton mentagrophytes",302,"CHEMBL367, CHEMBL612881, CHEMBL612848, CHEMBL613915, CHEMBL612649, CHEMBL3301413, CHEMBL1293235, CHEMBL1293248, CHEMBL613107, CHEMBL399, CHEMBL612878, CHEMBL612545, CHEMBL612557, CHEMBL391, CHEMBL3563, CHEMBL612870, CHEMBL612790, CHEMBL614245, CHEMBL395, CHEMBL613162, CHEMBL361, CHEMBL612880, CHEMBL612558, CHEMBL2366908, CHEMBL612841, CHEMBL368, CHEMBL612348, CHEMBL612877, CHEMBL612879, CHEMBL378, CHEMBL385, CHEMBL612647, CHEMBL612868, CHEMBL614040, CHEMBL363, CHEMBL366, CHEMBL384, CHEMBL358, CHEMBL4159, CHEMBL614955, CHEMBL3879801, CHEMBL612369, CHEMBL612884, CHEMBL365, CHEMBL613215, CHEMBL614696","HT-29, K562, 4'-phosphopantetheinyl transferase ffp, Unchecked, PBMC, Candida albicans SC5314, HeLa, Trichophyton rubrum, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Leishmania chagasi, HepG2, Lymphoblastoid cells, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Aspergillus fumigatus, Issatchenkia orientalis, Aspergillus flavus, J774.A1, Leishmania infantum, Absidia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, NON-PROTEIN TARGET, Candida glabrata, THP-1, Leishmania donovani, Saccharomyces cerevisiae, Prelamin-A/C, Candida albicans, Leishmania major, Filobasidiella neoformans, Trichomonas vaginalis, Leishmania mexicana, RAW264.7, Leishmania peruviana, Vero, ADMET, Trichophyton mentagrophytes",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL267345,AMPHOTERICIN B,10.46,CHEMBL612879,302,"Candida albicans SC5314, None, Trichophyton rubrum, Chlorocebus aethiops, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Bacillus subtilis, Leishmania chagasi, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Pichia kudriavzevii, Aspergillus fumigatus, Aspergillus flavus, Lichtheimia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, Candida glabrata, Leishmania donovani, Saccharomyces cerevisiae, Candida albicans, Leishmania major, Trichomonas vaginalis, Leishmania mexicana, Mus musculus, Cryptococcus neoformans, Leishmania peruviana, Leishmania infantum, Homo sapiens, Trichophyton mentagrophytes",302,"CHEMBL367, CHEMBL612881, CHEMBL612848, CHEMBL613915, CHEMBL612649, CHEMBL3301413, CHEMBL1293235, CHEMBL1293248, CHEMBL613107, CHEMBL399, CHEMBL612878, CHEMBL612545, CHEMBL612557, CHEMBL391, CHEMBL3563, CHEMBL612870, CHEMBL612790, CHEMBL614245, CHEMBL395, CHEMBL613162, CHEMBL361, CHEMBL612880, CHEMBL612558, CHEMBL2366908, CHEMBL612841, CHEMBL368, CHEMBL612348, CHEMBL612877, CHEMBL612879, CHEMBL378, CHEMBL385, CHEMBL612647, CHEMBL612868, CHEMBL614040, CHEMBL363, CHEMBL366, CHEMBL384, CHEMBL358, CHEMBL4159, CHEMBL614955, CHEMBL3879801, CHEMBL612369, CHEMBL612884, CHEMBL365, CHEMBL613215, CHEMBL614696","HT-29, K562, 4'-phosphopantetheinyl transferase ffp, Unchecked, PBMC, Candida albicans SC5314, HeLa, Trichophyton rubrum, Naegleria fowleri, Aspergillus niger, Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania amazonensis, Leishmania braziliensis, Leishmania chagasi, HepG2, Lymphoblastoid cells, Leishmania tropica, Candida parapsilosis, BK polyomavirus, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Aspergillus fumigatus, Issatchenkia orientalis, Aspergillus flavus, J774.A1, Leishmania infantum, Absidia corymbifera, Human immunodeficiency virus 1, Candida tropicalis, NON-PROTEIN TARGET, Candida glabrata, THP-1, Leishmania donovani, Saccharomyces cerevisiae, Prelamin-A/C, Candida albicans, Leishmania major, Filobasidiella neoformans, Trichomonas vaginalis, Leishmania mexicana, RAW264.7, Leishmania peruviana, Vero, ADMET, Trichophyton mentagrophytes",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL1554,DACTINOMYCIN,10.1,CHEMBL614533,177,"Giardia intestinalis, Trypanosoma cruzi, Equus caballus, Bos taurus, Mus musculus, None, Plasmodium falciparum, Chlorocebus aethiops, Homo sapiens",177,"CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL5514, CHEMBL614628, CHEMBL614004, CHEMBL615023, CHEMBL613508, CHEMBL399, CHEMBL4261, CHEMBL614923, CHEMBL614533, CHEMBL612545, CHEMBL391, CHEMBL1293232, CHEMBL3563, CHEMBL1293231, CHEMBL2903, CHEMBL614919, CHEMBL4830, CHEMBL395, CHEMBL614542, CHEMBL372, CHEMBL392, CHEMBL3468, CHEMBL612558, CHEMBL1293254, CHEMBL3663, CHEMBL614177, CHEMBL1293224, CHEMBL398, CHEMBL1293236, CHEMBL364, CHEMBL612810, CHEMBL387, CHEMBL396, CHEMBL384, CHEMBL1293237, CHEMBL4801, CHEMBL612565, CHEMBL4159, CHEMBL382, CHEMBL614735, CHEMBL345, CHEMBL614519, CHEMBL3879801, CHEMBL386, CHEMBL5122, CHEMBL340, CHEMBL1293234, CHEMBL612514, CHEMBL389, CHEMBL614036, CHEMBL1293299, CHEMBL614696, CHEMBL613977, CHEMBL397","HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7, 5637, HeLa, MOLT-4, Plasmodium falciparum, KB, Nuclear receptor ROR-gamma, Caspase-1, HEp-2, DU-145, HepG2, U2OS, Lymphoblastoid cells, CRL-7065 cell line, Hypoxia-inducible factor 1 alpha, ACHN, Discoidin domain-containing receptor 2, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Putative fructose-1,6-bisphosphate aldolase, MT4, Calf thymus DNA, SK-MEL-28, Histone-lysine N-methyltransferase MLL, ATP-dependent DNA helicase Q1, Cytochrome P450 3A4, SK-MES-1, P388, NCI-H460, CCRF-SB, A549, NON-PROTEIN TARGET, Raji, Arachidonate 15-lipoxygenase, SF-268, Jurkat, A2780, Ferritin light chain, G-361, Microtubule-associated protein tau, Huntingtin, MCF7, C8166, L1210, Vero, ADMET, Growth factor receptor-bound protein 2, Nucleic Acid, Homo sapiens, Survival motor neuron protein, Bloom syndrome protein, Aldehyde dehydrogenase 1A1",Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL529,AZITHROMYCIN,8.59,CHEMBL3301413,70,"None, Plasmodium falciparum, Escherichia coli, Streptococcus pneumoniae, Naegleria fowleri, Homo sapiens, Streptococcus, Toxoplasma gondii",70,"CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301413, CHEMBL612888, CHEMBL1293235, CHEMBL340, CHEMBL364, CHEMBL612545, CHEMBL1963","Streptococcus, Unchecked, Cytochrome P450 3A4, Thyroid stimulating hormone receptor, Plasmodium falciparum, Escherichia coli, Streptococcus pneumoniae, Naegleria fowleri, Prelamin-A/C, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL269732,TACROLIMUS,10.25,CHEMBL612545,63,"Mus musculus, Homo sapiens, Equus caballus, None, Rattus norvegicus",63,"CHEMBL614309, CHEMBL614632, CHEMBL1697668, CHEMBL612558, CHEMBL5748, CHEMBL1293231, CHEMBL1902, CHEMBL2842, CHEMBL1293254, CHEMBL3019, CHEMBL1250378, CHEMBL375, CHEMBL613107, CHEMBL340, CHEMBL2052031, CHEMBL4445, CHEMBL3401, CHEMBL372, CHEMBL612545, CHEMBL2430, CHEMBL6020","Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, Nuclear receptor ROR-gamma, Unchecked, T-cells, Splicing factor 3B subunit 3, FK506-binding protein 1A, Cytochrome P450 3A4, Peptidyl-prolyl cis-trans isomerase FKBP5, PBMC, RBL-2H3, Mus musculus, Solute carrier organic anion transporter family member 1B1, FK506-binding protein 1B, Cytochrome P450 3A5, Pregnane X receptor, Bile salt export pump, ADMET, Serine/threonine-protein kinase mTOR, Canalicular multispecific organic anion transporter 1, Homo sapiens, Ferritin light chain",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL269732,TACROLIMUS,10.25,CHEMBL612545,63,"Mus musculus, Homo sapiens, Equus caballus, None, Rattus norvegicus",63,"CHEMBL614309, CHEMBL614632, CHEMBL1697668, CHEMBL612558, CHEMBL5748, CHEMBL1293231, CHEMBL1902, CHEMBL2842, CHEMBL1293254, CHEMBL3019, CHEMBL1250378, CHEMBL375, CHEMBL613107, CHEMBL340, CHEMBL2052031, CHEMBL4445, CHEMBL3401, CHEMBL372, CHEMBL612545, CHEMBL2430, CHEMBL6020","Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, Nuclear receptor ROR-gamma, Unchecked, T-cells, Splicing factor 3B subunit 3, FK506-binding protein 1A, Cytochrome P450 3A4, Peptidyl-prolyl cis-trans isomerase FKBP5, PBMC, RBL-2H3, Mus musculus, Solute carrier organic anion transporter family member 1B1, FK506-binding protein 1B, Cytochrome P450 3A5, Pregnane X receptor, Bile salt export pump, ADMET, Serine/threonine-protein kinase mTOR, Canalicular multispecific organic anion transporter 1, Homo sapiens, Ferritin light chain",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL599872,VANIPREVIR,10.3,"CHEMBL612545,CHEMBL612545,CHEMBL3559639",55,"Hepatitis C virus, Homo sapiens, None",55,"CHEMBL379, CHEMBL612545, CHEMBL3559639, CHEMBL3879801, CHEMBL2954","Hepatitis C virus, Unchecked, Cathepsin S, Nonstructural protein NS3-4A, NON-PROTEIN TARGET",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532,ERYTHROMYCIN,7.96,CHEMBL612545,54,"Oryctolagus cuniculus, Staphylococcus aureus, Raoultella planticola, Bacillus subtilis, Mus musculus, Micrococcus luteus, None, Escherichia coli, Plasmodium falciparum, Streptococcus pneumoniae, Homo sapiens, Escherichia coli K-12, Toxoplasma gondii",54,"CHEMBL240, CHEMBL2573, CHEMBL614421, CHEMBL347, CHEMBL5306, CHEMBL352, CHEMBL359, CHEMBL4878, CHEMBL354, CHEMBL3879801, CHEMBL612888, CHEMBL2203, CHEMBL340, CHEMBL4302, CHEMBL374, CHEMBL613271, CHEMBL364, CHEMBL3253, CHEMBL2026, CHEMBL612545","Oryctolagus cuniculus, Serum albumin, P-glycoprotein 3, Staphylococcus aureus, HERG, Cytochrome P450 3A4, Unchecked, Raoultella planticola, Beta-lactamase AmpC, Cytochrome P450 1B1, Bacillus subtilis, P-glycoprotein 1, NON-PROTEIN TARGET, Escherichia coli, Plasmodium falciparum, Micrococcus luteus, Streptococcus pneumoniae, Motilin receptor, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1173445,LARGAZOLE,8.8,CHEMBL612545,45,"Homo sapiens, None",45,"CHEMBL392, CHEMBL3192, CHEMBL3524, CHEMBL5103, CHEMBL4145, CHEMBL3879801, CHEMBL1865, CHEMBL614348, CHEMBL1937, CHEMBL396, CHEMBL1829, CHEMBL612545, CHEMBL325, CHEMBL5924","Histone deacetylase 9, Ubiquitin-like modifier-activating enzyme 1, Unchecked, Histone deacetylase 3, Histone deacetylase 1, NCI-H460, A549, Histone deacetylase 4, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, NCI-H1975",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL414883,RADICICOL,9.57,CHEMBL612545,41,"Saccharomyces cerevisiae S288c, Human immunodeficiency virus 1, Human herpesvirus 1, Plasmodium falciparum, None, Homo sapiens, Rattus norvegicus",41,"CHEMBL5586, CHEMBL612545, CHEMBL3014, CHEMBL3879801, CHEMBL2095165, CHEMBL4303, CHEMBL3536, CHEMBL230, CHEMBL378, CHEMBL364, CHEMBL3880, CHEMBL387, CHEMBL613834, CHEMBL614741, CHEMBL613518, CHEMBL2745, CHEMBL4199, CHEMBL377","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, Heat shock protein HSP 90-alpha, Heat shock protein HSP90, Unchecked, SK-BR-3, Heat shock protein HSP 90-beta, Human immunodeficiency virus 1, Human herpesvirus 1, NON-PROTEIN TARGET, Heat shock protein HSP 90 (HSC82), Plasmodium falciparum, MCF7, Carbonyl reductase [NADPH] 1, ATP-citrate synthase, Heat shock protein HSP 90 (HSP82), Cyclooxygenase-2",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1097700,None,8.55,CHEMBL3587,37,"Homo sapiens, None",37,"CHEMBL1862, CHEMBL3587, CHEMBL1841, CHEMBL3879801, CHEMBL3956, CHEMBL267, CHEMBL279, CHEMBL1974, CHEMBL3905, CHEMBL4898, CHEMBL614245, CHEMBL612545","Tyrosine-protein kinase SRC, Tyrosine-protein kinase FYN, Tyrosine-protein kinase Lyn, Unchecked, Mitogen-activated protein kinase kinase kinase 1, Tyrosine-protein kinase receptor FLT3, Neurotrophic tyrosine kinase receptor type 2, Vascular endothelial growth factor receptor 2, Tyrosine-protein kinase ABL, THP-1, NON-PROTEIN TARGET, Dual specificity mitogen-activated protein kinase kinase 1",CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL19980,BREFELDIN A,7.05,"CHEMBL1293294,CHEMBL1293294,CHEMBL1293277",26,"Plasmodium falciparum, Homo sapiens, None, Rattus norvegicus, Schistosoma mansoni",26,"CHEMBL1795094, CHEMBL1947, CHEMBL6110, CHEMBL1293294, CHEMBL364, CHEMBL1293277, CHEMBL4869, CHEMBL612545, CHEMBL613545","Ras-related protein Rab-9A, Nuclear receptor subfamily 0 group B member 1, Unchecked, Thyroid hormone receptor beta-1, Niemann-Pick C1 protein, Prion protein, INS1, Plasmodium falciparum, Thioredoxin glutathione reductase",C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
CHEMBL1097999,E-6201,8.09,CHEMBL3879801,26,"Homo sapiens, None",26,"CHEMBL614245, CHEMBL3879801, CHEMBL612545, CHEMBL3587","Unchecked, Dual specificity mitogen-activated protein kinase kinase 1, THP-1, NON-PROTEIN TARGET",CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL503885,None,8.3,CHEMBL2842,24,"Homo sapiens, None",24,"CHEMBL2842, CHEMBL612545","Serine/threonine-protein kinase mTOR, Unchecked",CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](c3cccc4c(C)c[nH]c34)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL1077979,None,8.54,CHEMBL3587,23,"Homo sapiens, None",23,"CHEMBL5776, CHEMBL3587, CHEMBL6114, CHEMBL614697, CHEMBL3879801, CHEMBL4040, CHEMBL396, CHEMBL387, CHEMBL614245, CHEMBL5533, CHEMBL384, CHEMBL3530, CHEMBL3038499, CHEMBL613977","HT-29, Phospholipase A-2-activating protein, MAP kinase ERK2, NCI-H460, MDA-MB-435, TAK1/TAB1, NON-PROTEIN TARGET, THP-1, MCF7, Nuclear factor NF-kappa-B p65 subunit, SF-268, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 7, Mitogen-activated protein kinase kinase kinase 7",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL2012519,None,8.95,CHEMBL1955,23,"Homo sapiens, None",23,"CHEMBL3094, CHEMBL1955, CHEMBL1936, CHEMBL613835, CHEMBL2964, CHEMBL3879801, CHEMBL2171, CHEMBL258, CHEMBL279, CHEMBL4247, CHEMBL3553, CHEMBL1974, CHEMBL4040, CHEMBL612545, CHEMBL5311","Tyrosine-protein kinase TYK2, Vascular endothelial growth factor receptor 3, Serine/threonine-protein kinase receptor R3, Dual specificity mitogen-activated protein kinase kinase 2, Unchecked, Tyrosine-protein kinase LCK, ALK tyrosine kinase receptor, MAP kinase-activated protein kinase 5, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, MV4-11, NON-PROTEIN TARGET, Dual specificity mitogen-activated protein kinase kinase 6, MAP kinase ERK2",COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL2315001,None,7.77,CHEMBL613107,22,Homo sapiens,22,"CHEMBL613107, CHEMBL2034","Glucocorticoid receptor, PBMC",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1559663,None,6.65,CHEMBL1293235,21,"Homo sapiens, None, Influenza A virus",21,"CHEMBL1293278, CHEMBL2842, CHEMBL3879801, CHEMBL1293235, CHEMBL1293294, CHEMBL1293298, CHEMBL1293303, CHEMBL1293277, CHEMBL1293237, CHEMBL612545","Geminin, Peripheral myelin protein 22, Ras-related protein Rab-9A, Unchecked, Niemann-Pick C1 protein, NON-PROTEIN TARGET, Bloom syndrome protein, Nonstructural protein 1, Serine/threonine-protein kinase mTOR, Prelamin-A/C",C[C@H]1CCC/C=C/C2C[C@H](O)C[C@@]2(O)C/C=C/C(=O)O1
CHEMBL1425538,None,7.3,CHEMBL5619,21,"Bacillus subtilis, Oryctolagus cuniculus, Homo sapiens, Schistosoma mansoni, Giardia intestinalis",21,"CHEMBL4695, CHEMBL1293255, CHEMBL2608, CHEMBL2392, CHEMBL2095202, CHEMBL1287622, CHEMBL2284, CHEMBL1293224, CHEMBL1293227, CHEMBL1075145, CHEMBL1293235, CHEMBL6110, CHEMBL1293248, CHEMBL4361, CHEMBL1293234, CHEMBL5619, CHEMBL1293237, CHEMBL1293299","Troponin, cardiac muscle, Transitional endoplasmic reticulum ATPase, 15-hydroxyprostaglandin dehydrogenase [NAD+], 4'-phosphopantetheinyl transferase ffp, Histone-lysine N-methyltransferase MLL, Ubiquitin carboxyl-terminal hydrolase 2, Microtubule-associated protein tau, Lethal(3)malignant brain tumor-like protein 1, Glyceraldehyde-3-phosphate dehydrogenase liver, Induced myeloid leukemia cell differentiation protein Mcl-1, DNA-(apurinic or apyrimidinic site) lyase, Bloom syndrome protein, DNA polymerase beta, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase, Fructose-bisphosphate aldolase A, Putative fructose-1,6-bisphosphate aldolase, Prelamin-A/C",O=C(O[C@@H]1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@@H]2O)[C@H]1O)c1cc(O)c(O)c(O)c1
CHEMBL1741,CLARITHROMYCIN,7.05,CHEMBL347,21,"Escherichia coli, Homo sapiens, Toxoplasma gondii, None, Streptococcus pneumoniae",21,"CHEMBL240, CHEMBL1697668, CHEMBL347, CHEMBL354, CHEMBL612888, CHEMBL340, CHEMBL4302, CHEMBL4040, CHEMBL1743121, CHEMBL612545","HERG, Unchecked, Cytochrome P450 3A4, P-glycoprotein 1, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 1B1, Escherichia coli, Streptococcus pneumoniae, MAP kinase ERK2, Toxoplasma gondii",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL8597,ASCOMYCIN,9.69,CHEMBL612545,21,"Mus musculus, Homo sapiens, None",21,"CHEMBL614309, CHEMBL614766, CHEMBL1293231, CHEMBL1902, CHEMBL1947, CHEMBL375, CHEMBL4050, CHEMBL372, CHEMBL612545","Murine T-cell line, FK506 binding protein 4, T-cells, Thyroid hormone receptor beta-1, Nuclear receptor ROR-gamma, FK506-binding protein 1A, Unchecked, Mus musculus, Homo sapiens",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL482050,None,5.5,"CHEMBL1293294,CHEMBL1293277",20,"Giardia intestinalis, Schistosoma mansoni, Mus musculus, None, Homo sapiens, Saccharomyces cerevisiae",20,"CHEMBL1615322, CHEMBL1293231, CHEMBL3797, CHEMBL1293224, CHEMBL6110, CHEMBL5162, CHEMBL1293294, CHEMBL1293234, CHEMBL1293277, CHEMBL612545, CHEMBL1741165, CHEMBL361","Ras-related protein Rab-9A, microRNA 21, Microphthalmia-associated transcription factor, Nuclear receptor ROR-gamma, Unchecked, Microtubule-associated protein tau, Niemann-Pick C1 protein, Neuropeptide S receptor, Serine-protein kinase ATM, Thioredoxin glutathione reductase, Putative fructose-1,6-bisphosphate aldolase, Saccharomyces cerevisiae",CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1
CHEMBL2374068,None,6.0,CHEMBL1293227,20,"Homo sapiens, None, Trypanosoma cruzi",20,"CHEMBL4159, CHEMBL1293226, CHEMBL1293255, CHEMBL3563, CHEMBL1947, CHEMBL1293224, CHEMBL1293227, CHEMBL2903, CHEMBL3577, CHEMBL2093861, CHEMBL1075138, CHEMBL1293236, CHEMBL612545, CHEMBL4801, CHEMBL3468","15-hydroxyprostaglandin dehydrogenase [NAD+], ATP-dependent DNA helicase Q1, Thyroid hormone receptor beta-1, Unchecked, Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, Ubiquitin carboxyl-terminal hydrolase 2, Caspase-1, Menin/Histone-lysine N-methyltransferase MLL, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Arachidonate 15-lipoxygenase, Caspase-7, Cruzipain, Lysine-specific demethylase 4D-like, Aldehyde dehydrogenase 1A1",CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(N)C2O)CC2O[C@@](O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)[C@H](C)C1O)CC(O)C2C(=O)O
CHEMBL416615,None,6.85,CHEMBL1075138,17,"Bacillus subtilis, Homo sapiens, Schistosoma mansoni, Saccharomyces cerevisiae, Giardia intestinalis",17,"CHEMBL1293226, CHEMBL2608, CHEMBL2392, CHEMBL1293227, CHEMBL1293224, CHEMBL6110, CHEMBL4361, CHEMBL361, CHEMBL1293248, CHEMBL1075138, CHEMBL1293236, CHEMBL1293234, CHEMBL4040, CHEMBL1293237, CHEMBL1293299","4'-phosphopantetheinyl transferase ffp, Histone-lysine N-methyltransferase MLL, ATP-dependent DNA helicase Q1, Ubiquitin carboxyl-terminal hydrolase 2, Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, MAP kinase ERK2, Induced myeloid leukemia cell differentiation protein Mcl-1, Bloom syndrome protein, DNA polymerase beta, Lysosomal alpha-glucosidase, Thioredoxin glutathione reductase, Lysine-specific demethylase 4D-like, Putative fructose-1,6-bisphosphate aldolase, Saccharomyces cerevisiae",O=C1OCC2OC(O)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O
CHEMBL3902498,None,9.37,"CHEMBL2095194,CHEMBL3991",17,"Homo sapiens, None",17,"CHEMBL2820, CHEMBL3991, CHEMBL1801, CHEMBL204, CHEMBL1873, CHEMBL3879801, CHEMBL2000, CHEMBL2016, CHEMBL4444, CHEMBL2095194, CHEMBL3286, CHEMBL2821, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor IX, Plasminogen, Coagulation factor VII, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, NON-PROTEIN TARGET, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, Plasma kallikrein, Coagulation factor XII",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL1258348,None,8.4,"CHEMBL3920,CHEMBL3920",17,Homo sapiens,17,"CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2
CHEMBL91636,None,8.96,"CHEMBL333,CHEMBL333,CHEMBL4588",17,"Homo sapiens, Sus scrofa",17,"CHEMBL2200, CHEMBL280, CHEMBL321, CHEMBL283, CHEMBL332, CHEMBL4073, CHEMBL4588, CHEMBL3332, CHEMBL3869, CHEMBL372, CHEMBL3706, CHEMBL333, CHEMBL2963","Matrix metalloproteinase-2, Matrix metalloproteinase 9, Matrix metalloproteinase 3, Matrix metalloproteinase 8, Matrix metalloproteinase 15, Matrix metalloproteinase 14, Matrix metalloproteinase 16, ADAM17, Matrix metalloproteinase 13, Matrix metalloproteinase-1, Matrix metalloproteinase 7, Homo sapiens",CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL1987060,None,7.15,CHEMBL612545,17,"Homo sapiens, None, Rattus norvegicus, Escherichia coli O157:H7",17,"CHEMBL1615322, CHEMBL5162, CHEMBL1293235, CHEMBL1293294, CHEMBL2095183, CHEMBL1293277, CHEMBL4869, CHEMBL612545, CHEMBL613545, CHEMBL5514","Ras-related protein Rab-9A, microRNA 21, Neuropeptide S receptor, Unchecked, Prion protein, Niemann-Pick C1 protein, INS1, Shiga toxin, Huntingtin, Prelamin-A/C",CC1CCC/C=C/C2CC(O)CC2C(O)/C=C/C(=O)O1
CHEMBL1908360,EVEROLIMUS,5.7,CHEMBL6020,16,"Homo sapiens, None",16,"CHEMBL394, CHEMBL2221347, CHEMBL3879801, CHEMBL614643, CHEMBL1743128, CHEMBL614067, CHEMBL614939, CHEMBL614213, CHEMBL614561, CHEMBL613508, CHEMBL5918, CHEMBL5748, CHEMBL384, CHEMBL6020","HT-29, OVCAR-3, HOP-62, SQ20B, Canalicular multispecific organic anion transporter 2, Bile salt export pump, Canalicular multispecific organic anion transporter 1, DU-145, Multidrug resistance-associated protein 4, NON-PROTEIN TARGET, HCT-116, Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK), COLO 205, CAKI-1",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL602575,None,8.2,CHEMBL1293232,16,"None, Mus musculus, Homo sapiens, Equus caballus, Plasmodium falciparum",16,"CHEMBL1293232, CHEMBL1293231, CHEMBL1293254, CHEMBL1293227, CHEMBL2903, CHEMBL340, CHEMBL2093861, CHEMBL4096, CHEMBL364, CHEMBL3687, CHEMBL612545","Nuclear receptor ROR-gamma, Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2, Unchecked, Cellular tumor antigen p53, Menin/Histone-lysine N-methyltransferase MLL, Arachidonate 12-lipoxygenase, Survival motor neuron protein, Plasmodium falciparum, Arachidonate 15-lipoxygenase, Ferritin light chain",CC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC1=O
CHEMBL3593247,None,9.4,CHEMBL325,15,"Homo sapiens, None",15,"CHEMBL3192, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325, CHEMBL2111363","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL1796689,LARGAZOLE THIOL,9.4,"CHEMBL325,CHEMBL325",15,"Homo sapiens, None",15,"CHEMBL3192, CHEMBL5103, CHEMBL3310, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, Histone deacetylase 11, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL441158,None,10.7,CHEMBL386,15,"Mus musculus, Homo sapiens, None",15,"CHEMBL613102, CHEMBL612542, CHEMBL614177, CHEMBL3879801, CHEMBL614072, CHEMBL386, CHEMBL390, CHEMBL614573, CHEMBL614919, CHEMBL614213, CHEMBL381, CHEMBL387, CHEMBL384, CHEMBL383","HT-29, OVCAR-3, SK-MEL-28, PC-3, HL-60, BT-549, H322, MOLT-4, SiHa, NON-PROTEIN TARGET, L1210, MCF7, 786-0, B16",CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N1C
CHEMBL1668411,None,9.62,CHEMBL2007,14,Homo sapiens,14,"CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL3385, CHEMBL2850, CHEMBL279, CHEMBL1974, CHEMBL4040, CHEMBL262, CHEMBL397","Glycogen synthase kinase-3 alpha, Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Dual specificity mitogen-activated protein kinase kinase 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, MAP kinase ERK1, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Glycogen synthase kinase-3 beta, MAP kinase ERK2, Jurkat",COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL1136,TELITHROMYCIN,8.62,CHEMBL612558,14,"None, Homo sapiens, Plasmodium falciparum",14,"CHEMBL240, CHEMBL1697668, CHEMBL612558, CHEMBL1743128, CHEMBL364, CHEMBL1743121, CHEMBL612545, CHEMBL6020","HERG, Unchecked, Bile salt export pump, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 1B1, Plasmodium falciparum, ADMET, Multidrug resistance-associated protein 4",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
CHEMBL223643,VALINOMYCIN,10.0,CHEMBL612262,14,"Homo sapiens, SARS coronavirus, Rattus norvegicus",14,"CHEMBL614657, CHEMBL614725, CHEMBL4302, CHEMBL614004, CHEMBL612262, CHEMBL396, CHEMBL612575, CHEMBL399, CHEMBL387, CHEMBL395, CHEMBL6020","SARS coronavirus, NCI-H460, Bile salt export pump, C6, HeLa, P-glycoprotein 1, MCF7, MIA PaCa-2, HepG2, SW-620, A2780",CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O
CHEMBL3126408,None,9.09,CHEMBL612545,13,"Homo sapiens, None",13,"CHEMBL614917, CHEMBL612558, CHEMBL2732, CHEMBL3879801, CHEMBL399, CHEMBL1828, CHEMBL614392, CHEMBL612545, CHEMBL614879","RKO, DNA polymerase alpha subunit, Unchecked, HeLa, NON-PROTEIN TARGET, SK-MEL-2, DNA polymerase gamma subunit 1, HaCaT, ADMET",CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C
CHEMBL2304286,DIDEMNIN B,8.7,"CHEMBL392,CHEMBL384",13,"Oryctolagus cuniculus, Homo sapiens, None, Mus musculus",13,"CHEMBL394, CHEMBL612546, CHEMBL374, CHEMBL384, CHEMBL387, CHEMBL392, CHEMBL612557, CHEMBL612518","Oryctolagus cuniculus, HT-29, LNCaP, A549, RAW264.7, MCF7, Molecular identity unknown, HCT-116",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL4099337,None,7.21,"CHEMBL5311,CHEMBL5311",13,Homo sapiens,13,"CHEMBL5476, CHEMBL1955, CHEMBL4439, CHEMBL2964, CHEMBL5310, CHEMBL5275, CHEMBL1974, CHEMBL279, CHEMBL5311, CHEMBL5903","Vascular endothelial growth factor receptor 3, Serine/threonine-protein kinase receptor R3, Activin receptor type-1, Bone morphogenetic protein receptor type-1A, TGF-beta receptor type I, Dual specificity mitogen-activated protein kinase kinase 2, Bone morphogenetic protein receptor type-1B, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Activin receptor type-1B",COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
CHEMBL1651523,None,7.02,CHEMBL612545,13,"Homo sapiens, None",13,"CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL2964, CHEMBL4247, CHEMBL1974, CHEMBL279, CHEMBL612545, CHEMBL397","Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Dual specificity mitogen-activated protein kinase kinase 2, Unchecked, ALK tyrosine kinase receptor, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat",COc1cc(O)c2c(c1)CCCCCC(=O)/C=C\C[C@H](C)OC2=O
CHEMBL1173442,AIGIALOMYCIN D,6.8,CHEMBL4204,12,"Homo sapiens, Plasmodium falciparum",12,"CHEMBL4895, CHEMBL3788, CHEMBL3582, CHEMBL308, CHEMBL1974, CHEMBL364, CHEMBL4204, CHEMBL4718, CHEMBL2094128, CHEMBL4036","Tyrosine-protein kinase receptor UFO, Serine/threonine-protein kinase PLK4, Cyclin-dependent kinase 5, Tyrosine-protein kinase receptor FLT3, Cyclin-dependent kinase 2/cyclin A, Protein kinase C epsilon, Plasmodium falciparum, MAP kinase-interacting serine/threonine-protein kinase MNK1, MAP kinase signal-integrating kinase 2, Cyclin-dependent kinase 1",C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL435984,RORIDIN M,7.58,CHEMBL614387,11,Homo sapiens,11,"CHEMBL614886, CHEMBL614917, CHEMBL394, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL612263, CHEMBL614317, CHEMBL614516, CHEMBL614740, CHEMBL614387","RXF 393, UACC-62, A498, MDA-MB-435, NCI-H226, HCT-116, SK-MEL-2, NCI-H522, MDA-N, HCT-15, M14",CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\[C@@H]5O[C@H](C/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)O[C@H]5C
CHEMBL1242745,PLADIENOLIDE B,9.4,"CHEMBL387,CHEMBL614213",11,"Homo sapiens, None",11,"CHEMBL612545, CHEMBL394, CHEMBL614647, CHEMBL390, CHEMBL1250378, CHEMBL614213, CHEMBL399, CHEMBL387, CHEMBL392","OVCAR-3, PC-3, WiDr, Splicing factor 3B subunit 3, Unchecked, A549, HeLa, MCF7, HCT-116",CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
CHEMBL1672609,None,10.7,CHEMBL612545,11,"Hepatitis C virus, None",11,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2203873,None,10.8,CHEMBL612545,11,"Hepatitis C virus, None",11,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL136396,VERRUCARRIN M,8.15,CHEMBL614561,10,Homo sapiens,10,"CHEMBL614886, CHEMBL614917, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL612263, CHEMBL614317, CHEMBL614516, CHEMBL614561, CHEMBL614740","RXF 393, UACC-62, A498, MDA-MB-435, NCI-H226, SK-MEL-2, COLO 205, MDA-N, HCT-15, M14",CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL2303629,THIOSTREPTON,7.0,CHEMBL354,10,"None, Plasmodium falciparum, Escherichia coli",10,"CHEMBL354, CHEMBL364, CHEMBL345","Plasmodium falciparum, Escherichia coli, Nucleic Acid",C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c5csc(n5)[C@@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)C(C)NC(=O)[C@H]([C@@H](C)CC)N[C@@H]2C=Cc3c([C@H](C)O)cc(nc3[C@H]2O)C(=O)O[C@@H]4C)n1)C(N)=O
CHEMBL265841,None,11.0,"CHEMBL614072,CHEMBL613102,CHEMBL384",10,"Mus musculus, Homo sapiens, None",10,"CHEMBL613102, CHEMBL614177, CHEMBL3879801, CHEMBL614072, CHEMBL386, CHEMBL614573, CHEMBL614213, CHEMBL381, CHEMBL387, CHEMBL384","HT-29, OVCAR-3, BT-549, H322, MOLT-4, 786-0, NON-PROTEIN TARGET, L1210, MCF7, B16",CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N1C
CHEMBL501696,APRATOXIN A,8.85,CHEMBL384,10,"Homo sapiens, None",10,"CHEMBL612545, CHEMBL612558, CHEMBL394, CHEMBL615023, CHEMBL396, CHEMBL399, CHEMBL384","HT-29, Unchecked, NCI-H460, U2OS, HeLa, HCT-116, ADMET",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL1237072,None,6.93,CHEMBL612313,10,"Streptococcus, Homo sapiens, None",10,"CHEMBL612313, CHEMBL2093861, CHEMBL612545, CHEMBL1293226, CHEMBL1293235","Menin/Histone-lysine N-methyltransferase MLL, Streptococcus, Unchecked, Lysine-specific demethylase 4D-like, Prelamin-A/C",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
CHEMBL264224,ARENASTATIN A,9.89,CHEMBL614328,10,"Homo sapiens, None",10,"CHEMBL2095182, CHEMBL394, CHEMBL613829, CHEMBL387, CHEMBL614328, CHEMBL612545","NCI/ADR-RES, Unchecked, MCF7, HCT-116, MCF7S, Tubulin",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL70590,BORRELIDIN,9.3,CHEMBL613979,10,"Saccharomyces cerevisiae S288c, Homo sapiens, None, Saccharomyces cerevisiae, Phytophthora sojae",10,"CHEMBL614129, CHEMBL614197, CHEMBL3879801, CHEMBL5213, CHEMBL2366435, CHEMBL613979, CHEMBL384, CHEMBL361","HT-29, HUVEC, MDA-MB-361, NON-PROTEIN TARGET, Threonyl-tRNA synthase, Cell division control protein 28, Saccharomyces cerevisiae, NCI-N87",C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1
CHEMBL449392,CORILAGIN,5.46,CHEMBL612545,10,"Human immunodeficiency virus 1, Mus musculus, None, Hepatitis C virus, Homo sapiens, Rattus norvegicus",10,"CHEMBL2094266, CHEMBL378, CHEMBL4241, CHEMBL379, CHEMBL612545, CHEMBL612557, CHEMBL2093867, CHEMBL1781","Protein kinase C (PKC), Squalene monooxygenase, Unchecked, DNA topoisomerase I, Human immunodeficiency virus 1, RAW264.7, Hepatitis C virus",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1
CHEMBL1836145,THAILANDEPSIN B,8.92,CHEMBL325,10,Homo sapiens,10,"CHEMBL3192, CHEMBL3524, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363, CHEMBL325","Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7",CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H]([C@@H](C)CC)[C@@H](O)CC(=O)O2
CHEMBL1450553,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340,CHEMBL3356",10,Homo sapiens,10,"CHEMBL1293224, CHEMBL3356, CHEMBL340","Cytochrome P450 3A4, Microtubule-associated protein tau, Cytochrome P450 1A2",CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H]1C
CHEMBL1651521,None,8.24,CHEMBL279,10,"Homo sapiens, None",10,"CHEMBL1936, CHEMBL2041, CHEMBL5147, CHEMBL258, CHEMBL279, CHEMBL4247, CHEMBL3553, CHEMBL4204, CHEMBL4040, CHEMBL612545","Tyrosine-protein kinase TYK2, Tyrosine-protein kinase receptor RET, Unchecked, Tyrosine-protein kinase LCK, ALK tyrosine kinase receptor, Stem cell growth factor receptor, Vascular endothelial growth factor receptor 2, Ephrin type-B receptor 4, MAP kinase ERK2, MAP kinase signal-integrating kinase 2",COc1cc(O)c2c(c1)CCC[C@H](O)CC(=O)/C=C\C[C@H](C)OC2=O
CHEMBL1668419,None,7.05,CHEMBL2007,10,Homo sapiens,10,"CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat",COc1cc(O)c2c(c1)CCCCCC(=O)/C=C/C[C@H](C)OC2=O
CHEMBL1668418,None,7.57,CHEMBL2007,10,Homo sapiens,10,"CHEMBL1913, CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL3587, CHEMBL1868, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Dual specificity mitogen-activated protein kinase kinase 1, Jurkat",COc1cc(O)c2c(c1)/C=C/CCCC(=O)/C=C/C[C@H](C)OC2=O
CHEMBL136268,RORIDIN L,7.89,CHEMBL614561,9,Homo sapiens,9,"CHEMBL614917, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL614516, CHEMBL614317, CHEMBL614561, CHEMBL614740, CHEMBL614387","UACC-62, A498, MDA-MB-435, NCI-H226, SK-MEL-2, NCI-H522, COLO 205, MDA-N, M14",CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\[C@H]([C@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL1793802,AUREOBASIDIN A,9.74,CHEMBL1641343,9,"Saccharomyces cerevisiae S288c, Homo sapiens, None, Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast), Neosartorya fumigata",9,"CHEMBL4302, CHEMBL612545, CHEMBL1641345, CHEMBL1641343, CHEMBL1641344","Inositol phosphorylceramide synthase, Inositol phosphorylceramide synthase catalytic subunit AUR1, Aureobasidin-resistance protein, Unchecked, P-glycoprotein 1",CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL373872,BEAUVERICIN,5.85,CHEMBL396,9,"Homo sapiens, None",9,"CHEMBL614725, CHEMBL3879801, CHEMBL400, CHEMBL396, CHEMBL387, CHEMBL613977","NCI-H460, MDA-MB-231, NON-PROTEIN TARGET, MCF7, MIA PaCa-2, SF-268",CC(C)[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C1=O
CHEMBL2203882,None,10.8,CHEMBL612545,9,"Hepatitis C virus, None",9,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)C[C@@H]1C[C@@H]1c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL564085,TROLEANDOMYCIN,5.1,CHEMBL340,9,Homo sapiens,9,"CHEMBL4302, CHEMBL340","Cytochrome P450 3A4, P-glycoprotein 1",CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
CHEMBL431680,None,8.77,CHEMBL3332,9,"Homo sapiens, Sus scrofa",9,"CHEMBL280, CHEMBL321, CHEMBL283, CHEMBL4073, CHEMBL4393, CHEMBL4588, CHEMBL3332, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Matrix metalloproteinase 3, Matrix metalloproteinase 9, Matrix metalloproteinase 8, Matrix metalloproteinase 12, ADAM17, Matrix metalloproteinase 13, Matrix metalloproteinase 7, Homo sapiens",O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)[C@@H](C(=O)NO)CCCO1
CHEMBL3891120,None,9.8,"CHEMBL2095194,CHEMBL2095194",9,"Homo sapiens, None",9,"CHEMBL2820, CHEMBL3991, CHEMBL204, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor VII, Coagulation factor VII/tissue factor",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL334648,RORIDIN A,8.7,CHEMBL614886,9,Homo sapiens,9,"CHEMBL614886, CHEMBL613102, CHEMBL614917, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL614516, CHEMBL614561, CHEMBL614740","UACC-62, A498, 786-0, MDA-MB-435, NCI-H226, SK-MEL-2, COLO 205, MDA-N, RXF 393",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL343448,ROMIDEPSIN,9.7,CHEMBL325,9,"Homo sapiens, None",9,"CHEMBL3524, CHEMBL1865, CHEMBL1937, CHEMBL612545, CHEMBL325, CHEMBL2111363","Unchecked, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2",C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1514398,None,8.6,"CHEMBL3622,CHEMBL3622",9,Homo sapiens,9,"CHEMBL289, CHEMBL2903, CHEMBL3577, CHEMBL340, CHEMBL2093861, CHEMBL3622","Aldehyde dehydrogenase 1A1, Cytochrome P450 3A4, Cytochrome P450 2D6, Menin/Histone-lysine N-methyltransferase MLL, Arachidonate 15-lipoxygenase, Cytochrome P450 2C19",CO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL3622726,None,9.92,CHEMBL325,9,Homo sapiens,9,"CHEMBL3192, CHEMBL3524, CHEMBL5103, CHEMBL3310, CHEMBL1865, CHEMBL1937, CHEMBL2716, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 11, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 7",C/C=C1\NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1316258,None,7.0,CHEMBL2093861,9,Homo sapiens,9,"CHEMBL2093861, CHEMBL1293224, CHEMBL289, CHEMBL340","Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Cytochrome P450 3A4, Cytochrome P450 2D6",CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
CHEMBL1836142,THAILANDEPSIN A,9.55,CHEMBL325,9,"Mus musculus, Homo sapiens",9,"CHEMBL3524, CHEMBL1865, CHEMBL2111363, CHEMBL3885590, CHEMBL2878, CHEMBL325, CHEMBL3885591","Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6",CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O
CHEMBL3593411,None,8.66,CHEMBL325,9,"Homo sapiens, None",9,"CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(c2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL3593409,None,8.57,CHEMBL325,9,"Homo sapiens, None",9,"CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL2373625,None,8.0,CHEMBL4372,9,"Bacillus anthracis, Homo sapiens",9,"CHEMBL3356, CHEMBL2903, CHEMBL340, CHEMBL2093861, CHEMBL3397, CHEMBL4372","Cytochrome P450 3A4, Cytochrome P450 2C9, Menin/Histone-lysine N-methyltransferase MLL, Anthrax lethal factor, Arachidonate 15-lipoxygenase, Cytochrome P450 1A2",C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@@H]2[C@H](O)/C=C\C(=O)O1
CHEMBL136985,VERRUCARIN A,8.52,CHEMBL614516,9,Homo sapiens,9,"CHEMBL614917, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL612263, CHEMBL614516, CHEMBL387, CHEMBL614740, CHEMBL612518","UACC-62, LNCaP, A498, MDA-MB-435, NCI-H226, SK-MEL-2, MCF7, MDA-N, HCT-15",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL1813267,SHIZUKAOL B,8.85,CHEMBL378,8,"Mus musculus, None, Human immunodeficiency virus 1",8,"CHEMBL612545, CHEMBL378, CHEMBL612557","RAW264.7, Unchecked, Human immunodeficiency virus 1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL1256416,APLYSIATOXIN,9.8,CHEMBL3920,8,Homo sapiens,8,"CHEMBL2996, CHEMBL3616, CHEMBL299, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C delta, Protein kinase C eta, Protein kinase C beta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)ccc1Br
CHEMBL2148106,DEBROMOAPLYSIATOXIN,9.96,"CHEMBL3616,CHEMBL3920",8,Homo sapiens,8,"CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1
CHEMBL13529,CRYPTOPHYCIN 3,9.0,"CHEMBL614481,CHEMBL384",8,"Mus musculus, Homo sapiens, None",8,"CHEMBL614481, CHEMBL614721, CHEMBL398, CHEMBL381, CHEMBL614925, CHEMBL384","HT-29, KB, SK-OV-3, B16, DA-3 cell line, LoVo",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
CHEMBL1553635,None,8.25,CHEMBL1293231,8,"Mus musculus, Homo sapiens",8,"CHEMBL340, CHEMBL4261, CHEMBL1293231, CHEMBL3622","Nuclear receptor ROR-gamma, Hypoxia-inducible factor 1 alpha, Cytochrome P450 3A4, Cytochrome P450 2C19",COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)O[C@H]2C[C@H]3CC(=O)O[C@@H](/C=C\CC(C)C)C[C@@H]4CC[C@H](C)[C@H](C[C@@H](OC)C[C@H](C2)O3)O4)co1
CHEMBL3190230,None,6.64,CHEMBL612545,8,"Giardia intestinalis, Schistosoma mansoni, Bacillus subtilis, None, Candida albicans (strain WO-1) (Yeast), Homo sapiens",8,"CHEMBL1293226, CHEMBL1293251, CHEMBL6110, CHEMBL1293248, CHEMBL1293234, CHEMBL612545","4'-phosphopantetheinyl transferase ffp, Unchecked, Thioredoxin glutathione reductase, ATP-dependent molecular chaperone HSP82, Lysine-specific demethylase 4D-like, Putative fructose-1,6-bisphosphate aldolase",CC(=O)NC1CCCN(O)C(=O)/C=C(\C)CCOC(=O)C(NC(C)=O)CCCN(O)C(=O)/C=C(\C)CCOC(=O)C(NC(C)=O)CCCN(O)C(=O)/C=C(\C)CCOC1=O
CHEMBL252952,LYNGBYASTATIN 4,7.86,CHEMBL612545,8,"Homo sapiens, None",8,"CHEMBL612545, CHEMBL248","Unchecked, Leukocyte elastase",C/C=C1\NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL487366,None,6.51,CHEMBL367,8,"Plasmodium falciparum, Trypanosoma cruzi, Leishmania donovani, None, Trypanosoma brucei rhodesiense",8,"CHEMBL368, CHEMBL367, CHEMBL364, CHEMBL3879801, CHEMBL612348","Plasmodium falciparum, Trypanosoma cruzi, NON-PROTEIN TARGET, Leishmania donovani, Trypanosoma brucei rhodesiense",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](O)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL303274,None,9.2,"CHEMBL3066,CHEMBL3066",8,"Homo sapiens, Rattus norvegicus",8,"CHEMBL3066, CHEMBL2456, CHEMBL1855","Luteinizing hormone/Choriogonadotropin receptor, Gonadotropin-releasing hormone receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL1328768,None,6.95,"CHEMBL361,CHEMBL1293231",8,"Schistosoma mansoni, Influenza A virus, Equus caballus, Bacillus subtilis, Mus musculus, Homo sapiens, Saccharomyces cerevisiae",8,"CHEMBL1293231, CHEMBL1293254, CHEMBL1293224, CHEMBL6110, CHEMBL1293248, CHEMBL1293303, CHEMBL361","4'-phosphopantetheinyl transferase ffp, Nuclear receptor ROR-gamma, Microtubule-associated protein tau, Nonstructural protein 1, Thioredoxin glutathione reductase, Saccharomyces cerevisiae, Ferritin light chain",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C
CHEMBL3354443,None,7.72,CHEMBL392,8,"Mus musculus, Homo sapiens, None",8,"CHEMBL614908, CHEMBL3879801, CHEMBL614733, CHEMBL400, CHEMBL381, CHEMBL387, CHEMBL392","SF-295, MDA-MB-231, A549, MCF7, NON-PROTEIN TARGET, B16, NCI-H292",CC[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@H](C)C(=O)O[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC)N(C)C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N1C
CHEMBL468719,THIOSTREPTON,7.5,CHEMBL1293232,8,"Mus musculus, Homo sapiens, None, Trypanosoma cruzi",8,"CHEMBL1293232, CHEMBL3563, CHEMBL1293231, CHEMBL1293227, CHEMBL1293224, CHEMBL3577, CHEMBL612545","Nuclear receptor ROR-gamma, Unchecked, Microtubule-associated protein tau, Ubiquitin carboxyl-terminal hydrolase 2, Survival motor neuron protein, Cruzipain, Aldehyde dehydrogenase 1A1",C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@](C)(O)[C@@H](C)O)NC(=O)C5CSC(=N5)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC2C=Cc3c([C@H](C)O)cc(nc3[C@H]2O)C(=O)O[C@@H]4C)n1)C(N)=O
CHEMBL155405,FIJIANOLIDE B,8.7,CHEMBL614697,8,"Homo sapiens, None",8,"CHEMBL398, CHEMBL384, CHEMBL612558, CHEMBL394, CHEMBL614697","HT-29, MDA-MB-435, KB, HCT-116, ADMET",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL3797512,None,7.44,"CHEMBL3879801,CHEMBL387",8,"Homo sapiens, None",8,"CHEMBL400, CHEMBL3879801, CHEMBL614879, CHEMBL387","RKO, NON-PROTEIN TARGET, MCF7, MDA-MB-231",CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C
CHEMBL1836144,None,8.46,CHEMBL3885591,8,Homo sapiens,8,"CHEMBL3192, CHEMBL3524, CHEMBL4145, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363","Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 9, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7",CC[C@H](C)[C@H]1NC(=O)[C@@H](CS)NC(=O)[C@@H](CCSC)NC(=O)C[C@@H](/C=C/CCS)OC(=O)C[C@@H]1O
CHEMBL341800,"(6'R,13'S) ISORORIDIN A",8.7,CHEMBL614610,8,Homo sapiens,8,"CHEMBL614886, CHEMBL614078, CHEMBL614697, CHEMBL614610, CHEMBL614516, CHEMBL614317, CHEMBL614561, CHEMBL614387","UACC-62, A498, MDA-MB-435, NCI-H522, COLO 205, MDA-N, RXF 393, M14",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL1423706,None,5.36,CHEMBL612545,8,"Homo sapiens, None",8,"CHEMBL2093861, CHEMBL1293286, CHEMBL612545, CHEMBL1293299, CHEMBL2362975","Histone-lysine N-methyltransferase MLL, Menin/Histone-lysine N-methyltransferase MLL, No relevant target, Unchecked, Polyadenylate-binding protein 1",COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2
CHEMBL2373582,None,6.9,CHEMBL4372,8,"Bacillus anthracis, Homo sapiens",8,"CHEMBL1293232, CHEMBL3356, CHEMBL340, CHEMBL3397, CHEMBL4261, CHEMBL4372","Cytochrome P450 3A4, Cytochrome P450 2C9, Hypoxia-inducible factor 1 alpha, Anthrax lethal factor, Survival motor neuron protein, Cytochrome P450 1A2",C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1
CHEMBL4099942,None,7.68,CHEMBL5103,8,"Homo sapiens, None",8,"CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL612545, CHEMBL325, CHEMBL2111363","Unchecked, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCC(=O)NO)OC1=O
CHEMBL1329939,None,5.8,"CHEMBL3622,CHEMBL3622",8,Homo sapiens,8,"CHEMBL3397, CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C9, Cytochrome P450 2C19",Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C\[C@@H](C)COC(=O)C/C=C\[C@@H]2C)cc1
CHEMBL94599,None,10.0,"CHEMBL614075,CHEMBL614075",8,Homo sapiens,8,"CHEMBL614075, CHEMBL398, CHEMBL614590, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, KB, KB 3-1, 1A9/ptx-22",C/C(=C\c1ccccn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL1668420,None,6.35,CHEMBL2007,8,Homo sapiens,8,"CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL1868, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Vascular endothelial growth factor receptor 1, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Jurkat",COc1cc(O)c2c(c1)/C=C\CCCC(=O)/C=C/C[C@H](C)OC2=O
CHEMBL4078721,None,8.44,CHEMBL5103,8,"Homo sapiens, None",8,"CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL612545, CHEMBL325, CHEMBL2111363","Unchecked, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCCS)OC1=O
CHEMBL1356463,None,6.7,"CHEMBL4261,CHEMBL4261",8,Homo sapiens,8,"CHEMBL3397, CHEMBL340, CHEMBL3577, CHEMBL4261","Hypoxia-inducible factor 1 alpha, Cytochrome P450 3A4, Cytochrome P450 2C9, Aldehyde dehydrogenase 1A1",CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)CCC[C@@H]1C
CHEMBL1836143,None,8.41,CHEMBL3885591,8,Homo sapiens,8,"CHEMBL3192, CHEMBL3524, CHEMBL4145, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363","Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 9, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7",C/C=C1/NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1836042,None,8.19,CHEMBL3885590,8,Homo sapiens,8,"CHEMBL3192, CHEMBL3524, CHEMBL4145, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363","Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 9, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7",CCCC[C@H]1NC(=O)C[C@@H](/C=C/CCS)OC(=O)C[C@H](O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CS)NC1=O
CHEMBL1258349,None,6.77,"CHEMBL3920,CHEMBL2996",8,Homo sapiens,8,"CHEMBL2996, CHEMBL3616, CHEMBL299, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C delta, Protein kinase C eta, Protein kinase C beta, Protein kinase C epsilon, Protein kinase C gamma, Protein kinase C alpha, Protein kinase C theta",O=C1C[C@H]2CCC[C@]3(C[C@@H](C[C@@H](CCCCc4ccccc4)O3)OC(=O)C[C@H](CO)O1)O2
CHEMBL1258117,None,8.09,CHEMBL3920,8,Homo sapiens,8,"CHEMBL2996, CHEMBL3616, CHEMBL299, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C delta, Protein kinase C eta, Protein kinase C beta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2
CHEMBL2148108,None,9.35,CHEMBL3616,8,Homo sapiens,8,"CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc(O)c1
CHEMBL3917434,None,9.24,"CHEMBL2095194,CHEMBL3991",7,"Homo sapiens, None",7,"CHEMBL3991, CHEMBL2820, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor XI, Coagulation factor VII, Coagulation factor VII/tissue factor",CCN(CC)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL1701527,None,6.02,CHEMBL612545,7,"Homo sapiens, None, Rattus norvegicus",7,"CHEMBL612545, CHEMBL2362980, CHEMBL613545","Unchecked, Paired box protein Pax-8, INS1",O=C(C[C@@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1
CHEMBL46252,None,8.6,CHEMBL2996,7,Homo sapiens,7,"CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL3582, CHEMBL3920","Protein kinase C delta, Protein kinase C beta, Protein kinase C eta, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3
CHEMBL1813268,SHIZUKAOL F,8.37,CHEMBL378,7,"Mus musculus, None, Human immunodeficiency virus 1",7,"CHEMBL612545, CHEMBL378, CHEMBL612557","RAW264.7, Unchecked, Human immunodeficiency virus 1",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL525240,CHEBULAGIC ACID,7.3,CHEMBL1781,7,"Hepatitis C virus, Homo sapiens, None, Rattus norvegicus",7,"CHEMBL379, CHEMBL1781, CHEMBL612545, CHEMBL4241, CHEMBL2093867","Hepatitis C virus, Unchecked, Protein kinase C (PKC), DNA topoisomerase I, Squalene monooxygenase",O=C(O)C[C@@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@H]1[C@H](O)C(=O)O3
CHEMBL3329621,None,10.0,CHEMBL3310,7,"Homo sapiens, None",7,"CHEMBL3310, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 11, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCC/C=C/[C@@H]2CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O2)OC1=O
CHEMBL3220760,None,8.96,CHEMBL1949,7,"Homo sapiens, None",7,"CHEMBL613107, CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A, PBMC",CON(C)C(=O)/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O1
CHEMBL3220746,None,8.62,CHEMBL1949,7,"Homo sapiens, None",7,"CHEMBL613107, CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A, PBMC",CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3cccc(O)c3)C(=O)N3CCCC(N3)C(=O)O1)[C@H](C)[C@H](O)[C@@H]2C
CHEMBL1200688,ERYTHROMYCIN ETHYLSUCCINATE,7.2,CHEMBL2026,7,"Homo sapiens, Escherichia coli K-12, None",7,"CHEMBL2026, CHEMBL612545, CHEMBL1697668, CHEMBL2362975, CHEMBL1743121","No relevant target, Unchecked, Solute carrier organic anion transporter family member 1B3, Solute carrier organic anion transporter family member 1B1, Beta-lactamase AmpC",CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
CHEMBL3220761,None,8.57,CHEMBL1949,7,"Homo sapiens, None",7,"CHEMBL613107, CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A, PBMC",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N2CCCCO2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL405863,None,7.58,CHEMBL612545,7,None,7,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCn3cnc4cccnc43)C(=O)O[C@]12C
CHEMBL2448561,None,9.0,"CHEMBL614734,CHEMBL614734",7,Homo sapiens,7,"CHEMBL614734, CHEMBL613979","HMEC, HUVEC",CCCC[C@@H](C)C[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C[C@H](C)CCCC)NC(=O)[C@@H](CCC#N)OC(=O)[C@H](C)N(C)C1=O
CHEMBL265123,None,9.16,CHEMBL612558,7,"Homo sapiens, None",7,"CHEMBL613107, CHEMBL612545, CHEMBL612558, CHEMBL2842","Serine/threonine-protein kinase mTOR, Unchecked, ADMET, PBMC",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)C2C[C@@](O)(C(=O)C(=O)N3CCCCC3C(=O)O[C@H](C(C)C[C@@H]3CC[C@@H](CC(=O)Nc4ccc(CCCC(=O)O)cc4)C(OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL411735,None,10.7,CHEMBL612558,7,"Homo sapiens, None",7,"CHEMBL613107, CHEMBL612545, CHEMBL612558, CHEMBL2842","Serine/threonine-protein kinase mTOR, Unchecked, ADMET, PBMC",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)C2C[C@@](O)(C(=O)C(=O)N3CCCCC3C(=O)O[C@H](C(C)C[C@@H]3CC[C@@H](CC(=O)Nc4ccc(CCCC(=O)OC)cc4)C(OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3898371,None,9.26,"CHEMBL2095194,CHEMBL3991",7,"Homo sapiens, None",7,"CHEMBL3991, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor VII, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL2063002,LANGKOLIDE,6.32,CHEMBL275,7,"Candida albicans, Mus musculus, Homo sapiens, Candida glabrata",7,"CHEMBL275, CHEMBL614822, CHEMBL612647, CHEMBL395, CHEMBL384, CHEMBL366, CHEMBL262","Candida albicans, HT-29, HepG2, Candida glabrata, NIH3T3, Phosphodiesterase 4B, Glycogen synthase kinase-3 beta",CC(=O)O[C@H]1C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)O[C@H]2CC[C@H](O[C@@H]3CC[C@@H](OC(=O)[C@H](C)[C@@H](O)/C(C)=C/c4ccc5c(c4)C(=O)C=CC5=O)[C@H](C)O3)[C@H](C)O2)OC(=O)/C=C/[C@H](C)[C@@H](O)C[C@H](O)/C=C/CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@@H](C1)C[C@@H](O)[C@@H]2O
CHEMBL3980787,None,9.21,"CHEMBL2095194,CHEMBL3991",7,"Homo sapiens, None",7,"CHEMBL3991, CHEMBL2820, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor XI, Coagulation factor VII, Coagulation factor VII/tissue factor",CCOP(=O)(OCC)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL1363310,None,5.85,CHEMBL1293235,7,"Mus musculus, Homo sapiens, Escherichia coli K-12, Trypanosoma cruzi",7,"CHEMBL3563, CHEMBL1293231, CHEMBL1293224, CHEMBL1293235, CHEMBL2093861, CHEMBL2026, CHEMBL1293299","Histone-lysine N-methyltransferase MLL, Nuclear receptor ROR-gamma, Microtubule-associated protein tau, Beta-lactamase AmpC, Menin/Histone-lysine N-methyltransferase MLL, Cruzipain, Prelamin-A/C",CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3329622,None,9.7,CHEMBL3310,7,"Homo sapiens, None",7,"CHEMBL3310, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 11, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC1=O
CHEMBL3087767,None,5.42,CHEMBL396,7,"Homo sapiens, None",7,"CHEMBL614039, CHEMBL3879801, CHEMBL1075592, CHEMBL613508, CHEMBL399, CHEMBL387, CHEMBL396","SW1990, NCI-H460, DU-145, HeLa, NON-PROTEIN TARGET, MCF7, Huh-7",COC(=O)[C@H](O)CS[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
CHEMBL2418196,DEMETHOXYDEBROMOAPLYSIATOXIN,9.74,CHEMBL3616,7,Homo sapiens,7,"CHEMBL299, CHEMBL3616, CHEMBL2996, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C epsilon, Protein kinase C gamma, Protein kinase C alpha, Protein kinase C theta",C[C@@H](CCCc1cccc(O)c1)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C
CHEMBL1596863,None,5.35,CHEMBL612545,7,"Mus musculus, Homo sapiens, None",7,"CHEMBL1293255, CHEMBL1293231, CHEMBL1293224, CHEMBL3577, CHEMBL2093861, CHEMBL612545","15-hydroxyprostaglandin dehydrogenase [NAD+], Nuclear receptor ROR-gamma, Unchecked, Microtubule-associated protein tau, Menin/Histone-lysine N-methyltransferase MLL, Aldehyde dehydrogenase 1A1",CC1CC2OC2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL471474,HYPOTHEMYCIN,7.48,CHEMBL5776,7,Homo sapiens,7,"CHEMBL5776, CHEMBL2366275, CHEMBL396, CHEMBL387, CHEMBL614925, CHEMBL384, CHEMBL613977","HT-29, SK-OV-3, COLO-829, NCI-H460, MCF7, SF-268, Mitogen-activated protein kinase kinase kinase 7",COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL1668417,None,5.21,CHEMBL397,7,Homo sapiens,7,"CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Jurkat",COc1cc(O)c2c(c1)/C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O
CHEMBL3087769,None,5.36,CHEMBL387,7,"Homo sapiens, None",7,"CHEMBL614039, CHEMBL3879801, CHEMBL1075592, CHEMBL613508, CHEMBL396, CHEMBL399, CHEMBL387","SW1990, NCI-H460, DU-145, HeLa, NON-PROTEIN TARGET, MCF7, Huh-7",C[C@H]1CCC[C@H](SC[C@@H](O)C(=O)O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1
CHEMBL1668415,None,5.64,CHEMBL2007,7,Homo sapiens,7,"CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Jurkat",COc1cc(O)c2c(c1)CCCCCC(=O)C[C@H](Br)C[C@H](C)OC2=O
CHEMBL1668413,None,5.85,CHEMBL2007,7,Homo sapiens,7,"CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL1974, CHEMBL279, CHEMBL397","Vascular endothelial growth factor receptor 3, Stem cell growth factor receptor, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Jurkat",COc1cc(O)c2c(c1)CCCCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O
CHEMBL1801950,None,5.92,CHEMBL396,7,Homo sapiens,7,"CHEMBL5776, CHEMBL614697, CHEMBL396, CHEMBL387, CHEMBL5533, CHEMBL384, CHEMBL613977","HT-29, NCI-H460, MDA-MB-435, MCF7, Nuclear factor NF-kappa-B p65 subunit, SF-268, Mitogen-activated protein kinase kinase kinase 7",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/C[C@H](C)OC2=O
CHEMBL2436595,None,8.36,CHEMBL325,7,"Homo sapiens, None",7,"CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL2716, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 7",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL3593408,None,7.53,CHEMBL3879801,7,"Homo sapiens, None",7,"CHEMBL1829, CHEMBL3879801, CHEMBL325, CHEMBL1937","NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL1338329,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",7,Homo sapiens,7,"CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1",CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
CHEMBL3087768,None,5.34,CHEMBL396,7,"Homo sapiens, None",7,"CHEMBL614039, CHEMBL3879801, CHEMBL1075592, CHEMBL613508, CHEMBL399, CHEMBL387, CHEMBL396","SW1990, NCI-H460, DU-145, HeLa, NON-PROTEIN TARGET, MCF7, Huh-7",CC(=O)OCCOC(=O)[C@@H](CS[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1)OC(C)=O
CHEMBL2148107,None,8.54,CHEMBL3920,7,Homo sapiens,7,"CHEMBL299, CHEMBL2996, CHEMBL3616, CHEMBL3045, CHEMBL2938, CHEMBL3582, CHEMBL3920","Protein kinase C beta, Protein kinase C eta, Protein kinase C delta, Protein kinase C gamma, Protein kinase C epsilon, Protein kinase C alpha, Protein kinase C theta",C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3
CHEMBL335838,None,8.4,CHEMBL614697,7,Homo sapiens,7,"CHEMBL614886, CHEMBL613102, CHEMBL614697, CHEMBL614610, CHEMBL614516, CHEMBL614740, CHEMBL383","HL-60, UACC-62, A498, 786-0, MDA-MB-435, NCI-H226, RXF 393",CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
CHEMBL3593410,None,8.0,"CHEMBL3879801,CHEMBL3879801",7,"Homo sapiens, None",7,"CHEMBL1829, CHEMBL3879801, CHEMBL325, CHEMBL1937","NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL1526429,None,5.6,"CHEMBL3622,CHEMBL3622",7,Homo sapiens,7,"CHEMBL340, CHEMBL1963, CHEMBL3622","Thyroid stimulating hormone receptor, Cytochrome P450 3A4, Cytochrome P450 2C19",CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL510416,None,5.54,"CHEMBL379,CHEMBL379",6,Hepatitis C virus,6,CHEMBL379,Hepatitis C virus,C=CC1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(OCC)OCC
CHEMBL3126413,None,8.47,CHEMBL614392,6,"Homo sapiens, None",6,"CHEMBL612558, CHEMBL3879801, CHEMBL399, CHEMBL614392, CHEMBL612545, CHEMBL614879","RKO, Unchecked, HeLa, NON-PROTEIN TARGET, HaCaT, ADMET",CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)c2ccccc2)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C
CHEMBL1328576,None,8.1,CHEMBL4372,6,"Bacillus anthracis, Homo sapiens",6,"CHEMBL4372, CHEMBL1963, CHEMBL340","Thyroid stimulating hormone receptor, Anthrax lethal factor, Cytochrome P450 3A4",CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O
CHEMBL300004,None,8.47,"CHEMBL2203,CHEMBL5306",6,"Oryctolagus cuniculus, Homo sapiens",6,"CHEMBL5306, CHEMBL2203, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2011789,METACRIDAMIDE A,5.21,"CHEMBL614058,CHEMBL614058",6,"Homo sapiens, None",6,"CHEMBL3879801, CHEMBL614058, CHEMBL387","NON-PROTEIN TARGET, Caco-2, MCF7",CC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](Cc2ccccc2)NC(=O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)[C@H](OC(C)=O)/C(C)=C/[C@@H]1C
CHEMBL379989,RHIZOXIN,6.82,"CHEMBL612851,CHEMBL612545",6,"Homo sapiens, None, Trypanosoma brucei brucei",6,"CHEMBL614628, CHEMBL395, CHEMBL612545, CHEMBL612851, CHEMBL614818","Unchecked, HepG2, HEK293, Raji, Trypanosoma brucei brucei",CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
CHEMBL1591189,None,6.4,CHEMBL1293224,6,Homo sapiens,6,"CHEMBL1293224, CHEMBL289, CHEMBL1963, CHEMBL3622","Thyroid stimulating hormone receptor, Microtubule-associated protein tau, Cytochrome P450 2D6, Cytochrome P450 2C19",Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c3ccc(C)cc3)COC(=O)C/C=C\[C@H]2C)cc1
CHEMBL584166,None,9.74,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672587,None,10.4,CHEMBL379,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL3951940,None,8.66,CHEMBL2095194,6,"Homo sapiens, None",6,"CHEMBL2820, CHEMBL204, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244","Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor VII/tissue factor",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(-c3ccnn3C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3930523,None,8.6,"CHEMBL2095194,CHEMBL3991",6,"Homo sapiens, None",6,"CHEMBL612545, CHEMBL2319, CHEMBL3991, CHEMBL244, CHEMBL2095194","Coagulation factor VII/tissue factor, Unchecked, Coagulation factor VII, Coagulation factor X, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(=O)N(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL223238,NEOPELTOLIDE,9.25,CHEMBL612558,6,"Homo sapiens, None",6,"CHEMBL392, CHEMBL612545, CHEMBL612558","Unchecked, ADMET, A549",CCC[C@@H]1C[C@H](OC)C[C@H](C)C[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL3628322,None,7.52,CHEMBL394,6,"Homo sapiens, None",6,"CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325","Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1",CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1
CHEMBL1628277,None,8.47,CHEMBL2203,6,"Oryctolagus cuniculus, Homo sapiens, None",6,"CHEMBL3879801, CHEMBL5306, CHEMBL2203","NON-PROTEIN TARGET, Motilin receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL27419,None,8.05,"CHEMBL5306,CHEMBL5306",6,Oryctolagus cuniculus,6,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL3736342,None,8.16,CHEMBL1865,6,"Homo sapiens, None",6,"CHEMBL3192, CHEMBL612545, CHEMBL1865, CHEMBL387, CHEMBL392, CHEMBL325","Unchecked, Histone deacetylase 1, A549, MCF7, Histone deacetylase 8, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL26966,None,8.5,"CHEMBL5306,CHEMBL5306",6,Oryctolagus cuniculus,6,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL265495,None,8.42,"CHEMBL5306,CHEMBL5306",6,Oryctolagus cuniculus,6,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL45053,None,8.2,CHEMBL2996,6,Homo sapiens,6,"CHEMBL2996, CHEMBL3616, CHEMBL3582, CHEMBL3045, CHEMBL3920","Protein kinase C delta, Protein kinase C epsilon, Protein kinase C beta, Protein kinase C eta, Protein kinase C theta",CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL27424,None,8.22,"CHEMBL5306,CHEMBL5306",6,Oryctolagus cuniculus,6,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL2063086,None,10.7,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCCc1nc3ccccc3cc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2063087,None,10.7,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCCc1nc3ccc(OC)cc3cc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206970,None,10.52,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(N(C)C(=O)OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206977,None,10.0,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1329171,None,5.95,CHEMBL3577,6,"Homo sapiens, Trypanosoma cruzi, Equus caballus",6,"CHEMBL1293224, CHEMBL3563, CHEMBL3577, CHEMBL1293254","Ferritin light chain, Microtubule-associated protein tau, Cruzipain, Aldehyde dehydrogenase 1A1",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL455735,None,8.39,CHEMBL2111429,6,Homo sapiens,6,"CHEMBL3192, CHEMBL2111429, CHEMBL1865, CHEMBL614805, CHEMBL613508, CHEMBL614923","Histone deacetylase (HDAC1 and HDAC2), Histone deacetylase 6, SK-MES-1, DU-145, NCI-H69, Histone deacetylase 8",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL506834,None,7.86,CHEMBL2111429,6,Homo sapiens,6,"CHEMBL3192, CHEMBL2111429, CHEMBL1865, CHEMBL614805, CHEMBL613508, CHEMBL614923","Histone deacetylase (HDAC1 and HDAC2), Histone deacetylase 6, SK-MES-1, DU-145, NCI-H69, Histone deacetylase 8",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2208228,None,6.96,CHEMBL390,6,"Homo sapiens, None",6,"CHEMBL614198, CHEMBL612558, CHEMBL390, CHEMBL399, CHEMBL392, CHEMBL612518","PC-3, LNCaP, NFF, A549, HeLa, ADMET",CO[C@H](c1ccc(O)cc1)[C@H]1NC(=O)[C@H](CCC(=O)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[C@H](O)[C@H](C)CC(C)C)C(C)C(C)C(N)=O)[C@@H](C)OC(=O)[C@@H]2CCCCN2C1=O
CHEMBL2208229,None,6.96,CHEMBL399,6,"Homo sapiens, None",6,"CHEMBL614198, CHEMBL612558, CHEMBL390, CHEMBL399, CHEMBL392, CHEMBL612518","PC-3, LNCaP, NFF, A549, HeLa, ADMET",CO[C@H](c1ccc(O)cc1)[C@H]1NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[C@H](O)[C@H](C)CC(C)C)C(C)C(C)C(N)=O)[C@@H](C)OC(=O)[C@@H]2CCCCN2C1=O
CHEMBL2208227,None,7.06,CHEMBL612558,6,"Homo sapiens, None",6,"CHEMBL614198, CHEMBL612558, CHEMBL390, CHEMBL399, CHEMBL392, CHEMBL612518","PC-3, LNCaP, NFF, A549, HeLa, ADMET",CCC(C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](O)[C@@H](O)C(=O)NC(C(=O)N[C@H]1C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1C)C(C)C(C)C(N)=O
CHEMBL3628319,None,8.52,CHEMBL394,6,"Homo sapiens, None",6,"CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325","Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
CHEMBL3628320,None,7.55,CHEMBL394,6,"Homo sapiens, None",6,"CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325","Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1",CCCCCCCCSSCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
CHEMBL2063085,None,10.7,CHEMBL612545,6,"Hepatitis C virus, None",6,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCC/C=C/c1nc3ccccc3cc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL194426,None,8.76,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
CHEMBL473392,ROBOTNIKININ,5.51,"CHEMBL5602,CHEMBL5602,CHEMBL5602,CHEMBL612545",6,"Mus musculus, Homo sapiens, None",6,"CHEMBL5387, CHEMBL612545, CHEMBL5602","Unchecked, Sonic hedgehog protein",O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL115263,None,8.82,CHEMBL3332,6,"Homo sapiens, Sus scrofa",6,"CHEMBL280, CHEMBL4073, CHEMBL4588, CHEMBL3332, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Matrix metalloproteinase 8, ADAM17, Matrix metalloproteinase 13, Matrix metalloproteinase 7, Homo sapiens",NC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1
CHEMBL85011,None,7.58,CHEMBL3879801,6,"None, Rattus norvegicus",6,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL612545, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, Unchecked, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1396368,None,5.6,CHEMBL3622,6,Homo sapiens,6,"CHEMBL1293226, CHEMBL340, CHEMBL3577, CHEMBL3622","Cytochrome P450 3A4, Lysine-specific demethylase 4D-like, Cytochrome P450 2C19, Aldehyde dehydrogenase 1A1",C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23
CHEMBL1399925,None,5.75,CHEMBL1293232,6,"Mus musculus, Homo sapiens, None, Saccharomyces cerevisiae",6,"CHEMBL1293232, CHEMBL612545, CHEMBL361, CHEMBL1293235, CHEMBL1293231","Nuclear receptor ROR-gamma, Unchecked, Survival motor neuron protein, Saccharomyces cerevisiae, Prelamin-A/C",CC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
CHEMBL1668414,None,7.06,CHEMBL2007,6,Homo sapiens,6,"CHEMBL2007, CHEMBL1955, CHEMBL1936, CHEMBL1974, CHEMBL397","Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 3, Platelet-derived growth factor receptor alpha, Jurkat, Stem cell growth factor receptor",COc1cc(O)c2c(c1)/C=C/CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O
CHEMBL1668416,None,5.06,CHEMBL397,6,Homo sapiens,6,"CHEMBL279, CHEMBL2007, CHEMBL1936, CHEMBL1974, CHEMBL397","Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, Platelet-derived growth factor receptor alpha, Jurkat, Stem cell growth factor receptor",COc1cc(O)c2c(c1)/C=C\CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O
CHEMBL1436532,None,7.45,CHEMBL1293224,6,Homo sapiens,6,"CHEMBL1293224, CHEMBL340, CHEMBL289, CHEMBL3622","Cytochrome P450 3A4, Microtubule-associated protein tau, Cytochrome P450 2D6, Cytochrome P450 2C19",C[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O
CHEMBL3622729,None,8.56,CHEMBL325,6,Homo sapiens,6,"CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10",C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1329568,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",6,Homo sapiens,6,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
CHEMBL1524593,None,5.6,"CHEMBL3397,CHEMBL3397",6,"Bacillus subtilis, Homo sapiens",6,"CHEMBL3397, CHEMBL340, CHEMBL1293248","Cytochrome P450 3A4, Cytochrome P450 2C9, 4'-phosphopantetheinyl transferase ffp",CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C
CHEMBL4065225,None,5.44,CHEMBL612545,6,None,6,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCONC(=O)CC[C@@H](C=O)NC1=O
CHEMBL2373603,None,6.9,CHEMBL4372,6,"Bacillus anthracis, Homo sapiens",6,"CHEMBL1293256, CHEMBL3356, CHEMBL4372, CHEMBL3251","Anthrax lethal factor, Nuclear factor NF-kappa-B p105 subunit, Thrombopoietin, Cytochrome P450 1A2",C[C@H]1CCC/C=C/[C@@H]2C[C@@H](O)C[C@]2(O)C/C=C\C(=O)O1
CHEMBL3622727,None,8.66,CHEMBL325,6,Homo sapiens,6,"CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10",C/C=C1\NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3310505,None,9.2,CHEMBL2878,6,"Mus musculus, Homo sapiens",6,"CHEMBL2093865, CHEMBL1163125, CHEMBL1865, CHEMBL325, CHEMBL2878","Histone deacetylase 6, Histone deacetylase, Bromodomain-containing protein 4, Histone deacetylase 1",C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1801948,None,6.12,CHEMBL5533,6,Homo sapiens,6,"CHEMBL614697, CHEMBL396, CHEMBL387, CHEMBL5533, CHEMBL384, CHEMBL613977","HT-29, NCI-H460, MDA-MB-435, MCF7, Nuclear factor NF-kappa-B p65 subunit, SF-268",C[C@H]1C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL1337128,None,6.1,"CHEMBL3622,CHEMBL3622",6,Homo sapiens,6,"CHEMBL340, CHEMBL3577, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19, Aldehyde dehydrogenase 1A1",CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL1361449,None,5.85,CHEMBL1293224,6,Homo sapiens,6,"CHEMBL1293224, CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Microtubule-associated protein tau, Cytochrome P450 2C19",CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL364897,None,8.05,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1cccc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL372255,None,8.05,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",CSc1nc(/C=C(\C)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
CHEMBL435745,None,9.22,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
CHEMBL3628323,None,6.29,CHEMBL394,6,"Homo sapiens, None",6,"CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325","Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1",CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2cn(C)cn2)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1
CHEMBL196498,None,8.46,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1
CHEMBL194251,None,8.3,"CHEMBL613858,CHEMBL613858",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
CHEMBL193425,None,9.82,"CHEMBL614075,CHEMBL613858,CHEMBL614075,CHEMBL613858",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL194867,None,9.6,"CHEMBL614075,CHEMBL614075",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL196586,None,8.33,"CHEMBL613858,CHEMBL613858",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
CHEMBL516093,BEAUVERIOLIDE I,6.22,"CHEMBL612545,CHEMBL3879850,CHEMBL2782",6,"Homo sapiens, None, Chlorocebus aethiops",6,"CHEMBL4465, CHEMBL612545, CHEMBL2782, CHEMBL3879854, CHEMBL3879850","Unchecked, Sterol O-acyltransferase 1, Acyl coenzyme A:cholesterol acyltransferase 2, Acyl coenzyme A:cholesterol acyltransferase 1, Sterol O-acyltransferase 2",CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1
CHEMBL4065146,None,5.68,CHEMBL612545,6,None,6,CHEMBL612545,Unchecked,O=C[C@@H]1CCC(=O)NCCCCCC(c2cccc(Cl)c2)OC(=O)N[C@@H](CC2CCCCC2)C(=O)N1
CHEMBL196415,None,9.7,"CHEMBL614075,CHEMBL613858,CHEMBL614075,CHEMBL613858",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL196234,None,9.1,"CHEMBL613858,CHEMBL613858",6,Homo sapiens,6,"CHEMBL614075, CHEMBL614509, CHEMBL613858","1A9, 1A9/ptx-10, 1A9/ptx-22",CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1
CHEMBL436840,SYMPLOCAMIDE A,7.54,CHEMBL3879801,5,"Plasmodium falciparum, Homo sapiens, None",5,"CHEMBL3879801, CHEMBL612545, CHEMBL364, CHEMBL396","Unchecked, NON-PROTEIN TARGET, Plasmodium falciparum, NCI-H460",CCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(OC)c(Br)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL448291,None,9.48,CHEMBL382,5,"Homo sapiens, None",5,"CHEMBL392, CHEMBL3879801, CHEMBL382, CHEMBL387","MCF7, CCRF-CEM, NON-PROTEIN TARGET, A549",C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C/C(OC)/C=C\c2nc(co2)C(=O)O1
CHEMBL499735,None,9.96,CHEMBL382,5,"Homo sapiens, None",5,"CHEMBL392, CHEMBL3879801, CHEMBL382, CHEMBL387","MCF7, CCRF-CEM, NON-PROTEIN TARGET, A549",C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)C(OC)/C=C/C=C\c2nc(co2)C(=O)O1
CHEMBL1774292,None,6.3,"CHEMBL612888,CHEMBL612888",5,Toxoplasma gondii,5,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774297,None,5.7,CHEMBL612888,5,Toxoplasma gondii,5,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)CN(Cc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774625,None,7.17,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)Nc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774632,None,6.95,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)Nc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1214759,None,8.11,CHEMBL2093865,5,"Plasmodium falciparum, Homo sapiens, None",5,"CHEMBL2093865, CHEMBL3192, CHEMBL612545, CHEMBL5541, CHEMBL1865","Histone deacetylase 8, Unchecked, Histone deacetylase, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL229383,NYSTATIN,5.62,CHEMBL366,5,"Candida tropicalis, Homo sapiens, Pichia kudriavzevii, Candida albicans, BK polyomavirus",5,"CHEMBL613915, CHEMBL612841, CHEMBL614181, CHEMBL366, CHEMBL612870","MRC5, BK polyomavirus, Candida albicans, Issatchenkia orientalis, Candida tropicalis",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL229383,NYSTATIN,5.62,CHEMBL366,5,"Candida tropicalis, Homo sapiens, Pichia kudriavzevii, Candida albicans, BK polyomavirus",5,"CHEMBL613915, CHEMBL612841, CHEMBL614181, CHEMBL366, CHEMBL612870","MRC5, BK polyomavirus, Candida albicans, Issatchenkia orientalis, Candida tropicalis",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL501853,DISORAZOLE A1,10.18,CHEMBL382,5,"Homo sapiens, None",5,"CHEMBL392, CHEMBL3879801, CHEMBL382, CHEMBL387","MCF7, CCRF-CEM, NON-PROTEIN TARGET, A549",C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C/C=C\c2nc(co2)C(=O)O1
CHEMBL1435158,None,5.5,"CHEMBL4159,CHEMBL2903",5,"Homo sapiens, Influenza A virus",5,"CHEMBL4159, CHEMBL1293303, CHEMBL2903, CHEMBL1963","Arachidonate 15-lipoxygenase, Thyroid stimulating hormone receptor, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Nonstructural protein 1",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)CC(=O)C[C@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)C=CC=CC=CC=CCCC=CC=C[C@@](C)(O)[C@@H](O)[C@H]1C
CHEMBL506311,APRATOXIN E,8.04,CHEMBL394,5,Homo sapiens,5,"CHEMBL394, CHEMBL384, CHEMBL399, CHEMBL615023","U2OS, HT-29, HeLa, HCT-116",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C/C=C/C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL605825,None,10.05,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CCCC1)C(=O)NS(=O)(=O)C1CC1
CHEMBL1774631,None,7.0,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2436596,None,7.3,CHEMBL1865,5,"Homo sapiens, None",5,"CHEMBL1829, CHEMBL3879801, CHEMBL1865, CHEMBL325, CHEMBL1937","Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 3, NON-PROTEIN TARGET, Histone deacetylase 1",CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(n2)CNC(=O)C[C@@H](/C=C/CCSSCC/C=C/[C@@H]2CC(=O)NCc3nc(co3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O2)OC1=O
CHEMBL1557202,None,5.5,CHEMBL1293235,5,"Mus musculus, Homo sapiens",5,"CHEMBL1293235, CHEMBL1293231, CHEMBL340","Nuclear receptor ROR-gamma, Cytochrome P450 3A4, Prelamin-A/C",CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N\OCOCCOC)[C@H](C)[C@H](O)[C@]1(C)O
CHEMBL1774637,None,6.75,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL599874,None,8.91,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCC1)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2310925,NONACTIN,6.8,CHEMBL614004,5,"None, Homo sapiens, Plasmodium falciparum",5,"CHEMBL613503, CHEMBL3879801, CHEMBL364, CHEMBL614004","A2058, NON-PROTEIN TARGET, Plasmodium falciparum, A2780",C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
CHEMBL46053,None,7.19,CHEMBL2996,5,Homo sapiens,5,"CHEMBL2996, CHEMBL3920, CHEMBL3582, CHEMBL3045","Protein kinase C delta, Protein kinase C epsilon, Protein kinase C beta, Protein kinase C theta",CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@@H](C)O)OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3
CHEMBL599873,None,10.05,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CCC1)C(=O)NS(=O)(=O)C1CC1
CHEMBL605613,None,10.0,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CC1)C(=O)NS(=O)(=O)C1CC1
CHEMBL3092224,None,6.69,CHEMBL614919,5,"Homo sapiens, None",5,"CHEMBL400, CHEMBL614919, CHEMBL3879801, CHEMBL614181","MRC5, NON-PROTEIN TARGET, SK-MEL-28, MDA-MB-231",CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H]5C=CC(=O)[C@]6(COC(=O)CC/C=C/CCC(=O)O5)[C@H]4CC[C@@]32C)OC1=O
CHEMBL1315430,None,8.25,CHEMBL1293235,5,"Mus musculus, Homo sapiens",5,"CHEMBL1075138, CHEMBL1293235, CHEMBL1293231, CHEMBL340","Nuclear receptor ROR-gamma, Cytochrome P450 3A4, Tyrosyl-DNA phosphodiesterase 1, Prelamin-A/C",CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O
CHEMBL3956096,None,10.22,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244","Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL504859,ZYGOSPORAMIDE,5.6,CHEMBL392,5,Homo sapiens,5,"CHEMBL400, CHEMBL392, CHEMBL394, CHEMBL613977, CHEMBL614908","SF-268, MDA-MB-231, HCT-116, SF-295, A549",CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc2ccccc2)NC1=O
CHEMBL3736314,None,8.43,CHEMBL1865,5,Homo sapiens,5,"CHEMBL392, CHEMBL3192, CHEMBL1865, CHEMBL325, CHEMBL387","Histone deacetylase 6, MCF7, Histone deacetylase 8, Histone deacetylase 1, A549",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3cccc(-c4cn(CCCCCCC(=O)NO)nn4)c3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL1774633,None,7.14,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL553625,None,6.9,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=S)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1214760,None,8.99,CHEMBL2093865,5,"Plasmodium falciparum, Homo sapiens, None",5,"CHEMBL2093865, CHEMBL3192, CHEMBL612545, CHEMBL5541, CHEMBL1865","Histone deacetylase 8, Unchecked, Histone deacetylase, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL1774639,None,7.19,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCN(CCC#N)C(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL429406,MIRABAMIDE A,7.39,CHEMBL378,5,"Homo sapiens, None, Human immunodeficiency virus 1",5,"CHEMBL3879801, CHEMBL378, CHEMBL394","NON-PROTEIN TARGET, HCT-116, Human immunodeficiency virus 1",CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@@H](C)N)[C@@H](C)O
CHEMBL439403,MIRABAMIDE C,6.91,CHEMBL378,5,"None, Human immunodeficiency virus 1",5,"CHEMBL3879801, CHEMBL378","NON-PROTEIN TARGET, Human immunodeficiency virus 1",CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@@H](C)N)[C@@H](C)O
CHEMBL4105644,None,4.96,CHEMBL612545,5,None,5,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOC(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C\1C
CHEMBL553184,None,7.01,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)NC(C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774640,None,6.68,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CCOC(=O)CCN(CCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C)C(=O)Nc1ccc2ccccc2c1
CHEMBL539222,None,7.21,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774641,None,7.41,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCN(CCC(N)=O)C(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774638,None,6.9,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCN(CCC#N)C(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4079877,None,4.52,CHEMBL612545,5,None,5,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C\1C
CHEMBL562773,None,7.32,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL446811,None,7.04,CHEMBL2111429,5,Homo sapiens,5,"CHEMBL2111429, CHEMBL614923, CHEMBL3192, CHEMBL613508, CHEMBL614805","Histone deacetylase 8, DU-145, NCI-H69, SK-MES-1, Histone deacetylase (HDAC1 and HDAC2)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774630,None,7.48,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)NC(C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL498908,None,7.43,CHEMBL2111429,5,Homo sapiens,5,"CHEMBL2111429, CHEMBL614923, CHEMBL3192, CHEMBL613508, CHEMBL614805","Histone deacetylase 8, DU-145, NCI-H69, SK-MES-1, Histone deacetylase (HDAC1 and HDAC2)",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL316640,CRYPTOPHYCIN 52,10.81,CHEMBL3879801,5,"Homo sapiens, None",5,"CHEMBL372, CHEMBL382, CHEMBL3879801","Homo sapiens, NON-PROTEIN TARGET, CCRF-CEM",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL1774634,None,6.99,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL555663,None,7.09,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL553338,None,6.94,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1214763,None,7.66,CHEMBL612545,5,"Plasmodium falciparum, Homo sapiens, None",5,"CHEMBL2093865, CHEMBL3192, CHEMBL612545, CHEMBL5541, CHEMBL1865","Histone deacetylase 8, Unchecked, Histone deacetylase, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL557551,None,7.09,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774584,None,6.91,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774628,None,7.38,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)Nc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774629,None,7.62,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774636,None,7.0,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)Nc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1214762,None,7.76,CHEMBL612545,5,"None, Homo sapiens, Plasmodium falciparum",5,"CHEMBL5541, CHEMBL3192, CHEMBL612545, CHEMBL1865, CHEMBL2093865","Histone deacetylase 8, Unchecked, Histone deacetylase, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL1172449,CYANOPEPTOLIN 1020,9.17,CHEMBL612545,5,"Homo sapiens, None",5,"CHEMBL612545, CHEMBL2820, CHEMBL1801","Coagulation factor XI, Unchecked, Plasminogen",CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL1774635,None,7.28,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL532024,None,6.78,CHEMBL364,5,"Homo sapiens, Plasmodium falciparum",5,"CHEMBL614245, CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1214761,None,7.74,CHEMBL612545,5,"None, Homo sapiens, Plasmodium falciparum",5,"CHEMBL5541, CHEMBL3192, CHEMBL612545, CHEMBL1865, CHEMBL2093865","Histone deacetylase 8, Unchecked, Histone deacetylase, Histone deacetylase 6",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL605620,None,10.22,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2203324,None,9.4,CHEMBL379,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(OC)ccc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL3984725,None,9.66,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244","Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL1554887,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",5,Homo sapiens,5,"CHEMBL1963, CHEMBL340","Thyroid stimulating hormone receptor, Cytochrome P450 3A4",CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL311607,None,7.37,CHEMBL3014,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)Nc2ccccc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL211372,None,8.72,CHEMBL228,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL1554070,None,5.9,"CHEMBL1963,CHEMBL1963",5,Homo sapiens,5,"CHEMBL1963, CHEMBL340","Thyroid stimulating hormone receptor, Cytochrome P450 3A4",Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@H](C)COC(=O)N[C@@H](C)C(=O)C/C=C\[C@H]2C)cc1
CHEMBL1334658,None,5.6,"CHEMBL3622,CHEMBL3622",5,Homo sapiens,5,"CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19",CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL315575,None,7.89,CHEMBL3014,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCN(C)CC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL83069,None,8.21,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL313587,None,8.01,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NC2CCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL83305,None,7.29,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)Nc2cccnc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL146250,None,8.8,CHEMBL325,5,Homo sapiens,5,"CHEMBL3524, CHEMBL1865, CHEMBL325, CHEMBL1937","Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 1",C/C=C1\NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1384853,None,5.34,CHEMBL612545,5,None,5,"CHEMBL612545, CHEMBL2362975","No relevant target, Unchecked",COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2
CHEMBL82750,None,6.89,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCOCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL314705,None,7.7,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL298167,None,8.0,CHEMBL4588,5,Homo sapiens,5,"CHEMBL321, CHEMBL283, CHEMBL332, CHEMBL333, CHEMBL4588","Matrix metalloproteinase-2, Matrix metalloproteinase 3, Matrix metalloproteinase-1, Matrix metalloproteinase 8, Matrix metalloproteinase 9",CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1
CHEMBL3622731,None,7.67,CHEMBL325,5,Homo sapiens,5,"CHEMBL1829, CHEMBL5103, CHEMBL1865, CHEMBL325, CHEMBL1937","Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1",C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(C)=O)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL380056,None,7.03,CHEMBL228,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1CCCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2
CHEMBL84714,None,6.62,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",COC(=O)CNC(=O)CO/N=C1\C=C\C=C/[C@H]2O[C@@H]2C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL3126833,None,9.7,CHEMBL325,5,"Mus musculus, Homo sapiens",5,"CHEMBL3524, CHEMBL1865, CHEMBL325, CHEMBL2878","Histone deacetylase 6, Histone deacetylase 4, Histone deacetylase 1",CSCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O2
CHEMBL214209,None,8.42,CHEMBL238,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL379333,None,6.8,CHEMBL238,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2
CHEMBL1325775,None,6.2,CHEMBL2903,5,Homo sapiens,5,"CHEMBL2093861, CHEMBL2903, CHEMBL340","Arachidonate 15-lipoxygenase, Menin/Histone-lysine N-methyltransferase MLL, Cytochrome P450 3A4",CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](OC)[C@H](C)COC(=O)CCC[C@H]1C
CHEMBL1485069,None,5.4,"CHEMBL289,CHEMBL289",5,Homo sapiens,5,"CHEMBL4040, CHEMBL289, CHEMBL1963, CHEMBL3356","Thyroid stimulating hormone receptor, MAP kinase ERK2, Cytochrome P450 2D6, Cytochrome P450 1A2",CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL378243,None,6.77,CHEMBL238,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL1530445,None,8.6,"CHEMBL3622,CHEMBL3622",5,Homo sapiens,5,"CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19",CO[C@@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C
CHEMBL1552529,None,5.8,"CHEMBL3622,CHEMBL3622",5,Homo sapiens,5,"CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19",CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C
CHEMBL404204,MONOCILLIN III,6.52,CHEMBL613977,5,"None, Homo sapiens, Human herpesvirus 1",5,"CHEMBL613977, CHEMBL612545, CHEMBL396, CHEMBL387, CHEMBL377","SF-268, Human herpesvirus 1, MCF7, Unchecked, NCI-H460",C[C@@H]1C[C@H]2O[C@@H]2CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
CHEMBL2269362,"(5S,8R,13S,16R)-(-)-PYRENOPHOROL",5.24,CHEMBL612545,5,"Mus musculus, Homo sapiens, None",5,"CHEMBL1615322, CHEMBL612545, CHEMBL1293231","Nuclear receptor ROR-gamma, Unchecked, microRNA 21",C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1
CHEMBL4105086,None,5.85,CHEMBL612545,5,None,5,CHEMBL612545,Unchecked,C[C@H]1CCC/C=C/C(=O)c2c(cc(O)c(Cl)c2O)CC(=O)O1
CHEMBL1515216,None,5.85,CHEMBL1947,5,"Mus musculus, Homo sapiens",5,"CHEMBL1075138, CHEMBL2524, CHEMBL1293231, CHEMBL1947","Nuclear receptor ROR-gamma, Alpha-galactosidase A, Tyrosyl-DNA phosphodiesterase 1, Thyroid hormone receptor beta-1",CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)C(C(C)C)O2)OC1=O
CHEMBL313882,None,8.24,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NC2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL385359,None,7.16,CHEMBL238,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL3809472,None,7.46,CHEMBL2319,5,Homo sapiens,5,"CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095204","Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Kallikrein 1, Trypsin",Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc12
CHEMBL3942944,None,8.06,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL612545, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095194","Coagulation factor VII/tissue factor, Unchecked, Coagulation factor X, Coagulation factor XI, Kallikrein 1",COC(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL589395,None,9.74,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL315521,None,7.24,CHEMBL3879801,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",COc1ccc(NC(=O)CO/N=C2\C=C\C=C/[C@H]3O[C@@H]3C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3C2)cc1
CHEMBL603171,None,9.35,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL603170,None,10.4,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL600077,None,10.3,CHEMBL612545,5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1975251,None,9.7,CHEMBL614481,5,"Mus musculus, Homo sapiens, None",5,"CHEMBL384, CHEMBL614481, CHEMBL398, CHEMBL381","HT-29, B16, KB, DA-3 cell line",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
CHEMBL3900166,None,9.85,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244","Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL556318,None,10.4,"CHEMBL379,CHEMBL612545",5,"Hepatitis C virus, None",5,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL401180,None,7.57,"CHEMBL4822,CHEMBL4822",5,Homo sapiens,5,"CHEMBL2525, CHEMBL2581, CHEMBL4822","Beta-secretase 1, Cathepsin D, Beta secretase 2",C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
CHEMBL3775684,None,7.33,CHEMBL3879801,5,"Homo sapiens, None",5,"CHEMBL3879801, CHEMBL612545, CHEMBL612558, CHEMBL385","Unchecked, K562, NON-PROTEIN TARGET, ADMET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(=O)OC)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3934882,None,7.82,CHEMBL2319,5,Homo sapiens,5,"CHEMBL204, CHEMBL4444, CHEMBL2095194, CHEMBL2319, CHEMBL244","Kallikrein 1, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Thrombin",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL3220169,None,4.97,CHEMBL614917,5,"Homo sapiens, None",5,"CHEMBL614177, CHEMBL3879801, CHEMBL390, CHEMBL614917, CHEMBL387","MOLT-4, PC-3, MCF7, SK-MEL-2, NON-PROTEIN TARGET",CC(=O)O[C@H]1/C=C/C[C@@H](/C(C)=C/C=C/CC[C@H]2O[C@@H]2C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC[C@@]1(C)O
CHEMBL3774991,None,7.1,CHEMBL612545,5,"Homo sapiens, None",5,"CHEMBL3879801, CHEMBL612545, CHEMBL612558, CHEMBL385","Unchecked, K562, NON-PROTEIN TARGET, ADMET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3126418,None,7.64,CHEMBL399,5,"Homo sapiens, None",5,"CHEMBL614917, CHEMBL612545, CHEMBL399, CHEMBL3879801","Unchecked, HeLa, NON-PROTEIN TARGET, SK-MEL-2",CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN1CCCC1
CHEMBL3967204,None,9.14,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244","Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL1397858,None,5.6,"CHEMBL3622,CHEMBL3622",5,Homo sapiens,5,"CHEMBL340, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19",CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL1437314,None,5.5,"CHEMBL3622,CHEMBL3577",5,Homo sapiens,5,"CHEMBL340, CHEMBL3577, CHEMBL3622","Cytochrome P450 3A4, Cytochrome P450 2C19, Aldehyde dehydrogenase 1A1",Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]2C)cc1
CHEMBL85730,None,7.77,CHEMBL3014,5,"None, Rattus norvegicus",5,"CHEMBL613518, CHEMBL614741, CHEMBL3879801, CHEMBL3014","NRK, Tyrosine-protein kinase SRC, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NCC2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL3935309,None,8.26,CHEMBL2095194,5,"Homo sapiens, None",5,"CHEMBL612545, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095194","Coagulation factor VII/tissue factor, Unchecked, Coagulation factor X, Coagulation factor XI, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(OC(F)(F)F)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL1453872,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",5,Homo sapiens,5,"CHEMBL3356, CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1, Cytochrome P450 1A2",CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@@H]1C
CHEMBL379755,None,6.54,CHEMBL228,5,Homo sapiens,5,"CHEMBL228, CHEMBL238, CHEMBL222","Dopamine transporter, Serotonin transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL3808399,None,7.6,CHEMBL2319,5,Homo sapiens,5,"CHEMBL204, CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244","Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Thrombin, Kallikrein 1",C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
CHEMBL3808853,None,8.22,CHEMBL2319,5,Homo sapiens,5,"CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095204","Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Kallikrein 1, Trypsin",CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
CHEMBL1173195,None,8.33,CHEMBL325,5,Homo sapiens,5,"CHEMBL1829, CHEMBL1865, CHEMBL3524, CHEMBL325","Histone deacetylase 6, Histone deacetylase 4, Histone deacetylase 3, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nc(cs2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL453207,LYNGBYABELLIN A,7.66,CHEMBL399,5,"Homo sapiens, None, Cryptococcus neoformans",5,"CHEMBL384, CHEMBL612545, CHEMBL365, CHEMBL399","HT-29, HeLa, Filobasidiella neoformans, Unchecked",CC[C@H](C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@H](C(C)(C)O)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2
CHEMBL2436594,None,6.92,CHEMBL3879801,5,"Homo sapiens, None",5,"CHEMBL1829, CHEMBL3879801, CHEMBL1865, CHEMBL325, CHEMBL1937","NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1, Histone deacetylase 6",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(co2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL3622730,None,6.8,CHEMBL325,5,Homo sapiens,5,"CHEMBL1829, CHEMBL5103, CHEMBL1865, CHEMBL325, CHEMBL1937","Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1",C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1527579,None,5.5,"CHEMBL289,CHEMBL289",5,Homo sapiens,5,"CHEMBL289, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2D6",CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
CHEMBL407426,None,5.66,CHEMBL614697,4,Homo sapiens,4,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)C[C@@H](C)CC/C=C/COC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]3C[C@]2(O)C(C)(C)C1=C3C
CHEMBL572996,None,7.24,"CHEMBL5306,CHEMBL3879801,CHEMBL5306",4,"Oryctolagus cuniculus, Homo sapiens, None",4,"CHEMBL240, CHEMBL3879801, CHEMBL5306","NON-PROTEIN TARGET, Motilin receptor, HERG",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL554992,HANTUPEPTIN A,7.5,"CHEMBL614177,CHEMBL614177",4,Homo sapiens,4,"CHEMBL614177, CHEMBL387","MOLT-4, MCF7",C#CCCC[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)C1C
CHEMBL1404947,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL1293227, CHEMBL340","Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2",CO[C@@H]1C[C@H](O[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3OC(C)=O)[C@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](C)OC(=O)[C@@H]2C)O[C@H](C)[C@@H]1OC(C)=O
CHEMBL2206982,None,10.4,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc4nccn4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206975,None,10.05,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1326015,None,5.4,CHEMBL1293227,4,Homo sapiens,4,"CHEMBL1293227, CHEMBL340","Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2",CO[C@@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H](N(C)C)[C@@H]1O
CHEMBL1774452,None,6.3,CHEMBL612888,4,Toxoplasma gondii,4,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(F)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2206980,None,10.52,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4ncn(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206978,None,10.05,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2022564,APRATOXIN S4,9.51,CHEMBL394,4,Homo sapiens,4,"CHEMBL394, CHEMBL1783","Vascular endothelial growth factor A, HCT-116",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL1215858,HOIAMIDE A,7.34,CHEMBL612545,4,"Homo sapiens, None",4,"CHEMBL612545, CHEMBL396, CHEMBL3879801","Unchecked, NON-PROTEIN TARGET, NCI-H460",CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C
CHEMBL4062982,None,8.52,CHEMBL612545,4,None,4,CHEMBL612545,Unchecked,CC(/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@H](O)[C@@H](O)C[C@H](C)O
CHEMBL4073729,None,7.2,CHEMBL612545,4,None,4,CHEMBL612545,Unchecked,CC(/C=C/C[C@@H](C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C)=C\[C@H](O)[C@@H](O)C[C@H](C)O
CHEMBL2206974,None,10.4,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206969,None,10.05,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(NC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL281952,None,6.81,"CHEMBL2203,CHEMBL5306",4,"Oryctolagus cuniculus, Homo sapiens",4,"CHEMBL5306, CHEMBL2203",Motilin receptor,CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C
CHEMBL2206983,None,10.1,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3c(c1)c(cc1nccn13)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL165020,None,10.11,CHEMBL614328,4,Homo sapiens,4,"CHEMBL2095182, CHEMBL613829, CHEMBL394, CHEMBL614328","NCI/ADR-RES, MCF7S, Tubulin, HCT-116",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL507308,PUNICAFOLIN,5.4,"CHEMBL2093867,CHEMBL2094266",4,"Homo sapiens, Rattus norvegicus, Human immunodeficiency virus 1",4,"CHEMBL378, CHEMBL2093867, CHEMBL2094266","Protein kinase C (PKC), Human immunodeficiency virus 1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
CHEMBL2106399,KITASAMYCIN,6.2,CHEMBL319,4,"None, Rattus norvegicus",4,"CHEMBL612545, CHEMBL319","Alpha-1a adrenergic receptor, Unchecked",CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL2106399,KITASAMYCIN,6.2,CHEMBL319,4,"None, Rattus norvegicus",4,"CHEMBL612545, CHEMBL319","Alpha-1a adrenergic receptor, Unchecked",CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL2206973,None,10.15,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(O)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL224345,PAECILODEPSIPEPTIDE A,5.31,"CHEMBL364,CHEMBL612856",4,"None, Homo sapiens, Plasmodium falciparum K1, Plasmodium falciparum",4,"CHEMBL398, CHEMBL364, CHEMBL612856, CHEMBL612558","Plasmodium falciparum (isolate K1 / Thailand), KB, Plasmodium falciparum, ADMET",CC(C)=CCOc1ccc(C[C@H]2NC(=O)[C@@H](C)NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)OC2=O)cc1
CHEMBL1811934,SHIZUKAOL H,8.48,CHEMBL378,4,Human immunodeficiency virus 1,4,CHEMBL378,Human immunodeficiency virus 1,COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C=C(\C)COC(=O)[C@@H](O)CC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL3235373,None,6.21,CHEMBL2367131,4,"Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense, Rattus norvegicus",4,"CHEMBL612348, CHEMBL2367131, CHEMBL368, CHEMBL614793","Plasmodium falciparum NF54, L6, Trypanosoma cruzi, Trypanosoma brucei rhodesiense",C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
CHEMBL584549,3 9-DIHYDRO-N-DESMETHYL-N-ISOPROPYLERYTHROMYCIN A,8.0,CHEMBL240,4,"Oryctolagus cuniculus, Homo sapiens, None",4,"CHEMBL240, CHEMBL3879801, CHEMBL5306","NON-PROTEIN TARGET, Motilin receptor, HERG",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL362592,None,8.35,CHEMBL2525,4,Homo sapiens,4,"CHEMBL2525, CHEMBL4822","Beta-secretase 1, Beta secretase 2",CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL1672607,None,10.3,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCCCCc1cc(OC)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672610,None,10.7,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL4065704,None,5.09,CHEMBL612545,4,None,4,CHEMBL612545,Unchecked,C=C1NCC(C)C(CCC(C)C(=O)/C=C/C(C)=C/CCC(C)CCCCCC)OC(=O)C(CCC(N)=O)NC(=O)C(C)CNC1=O
CHEMBL3594368,None,6.06,"CHEMBL399,CHEMBL384,CHEMBL384,CHEMBL399",4,Homo sapiens,4,"CHEMBL384, CHEMBL399","HeLa, HT-29",C/C1=C/C(=O)OC(C(C)(C)C)CC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCC1
CHEMBL1774453,None,6.22,"CHEMBL612888,CHEMBL612888",4,Toxoplasma gondii,4,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL398500,MIRABAMIDE D,6.72,CHEMBL378,4,"None, Human immunodeficiency virus 1",4,"CHEMBL3879801, CHEMBL378","NON-PROTEIN TARGET, Human immunodeficiency virus 1",CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@@H](C)N)[C@@H](C)O
CHEMBL2206976,None,10.3,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OC4CCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL3354442,None,7.18,CHEMBL400,4,"Homo sapiens, None",4,"CHEMBL400, CHEMBL3879801, CHEMBL614733, CHEMBL614908","NON-PROTEIN TARGET, SF-295, NCI-H292, MDA-MB-231",CC[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)O[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC)N(C)C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N1C
CHEMBL263032,None,8.46,"CHEMBL375,CHEMBL614309",4,"Mus musculus, Homo sapiens, None",4,"CHEMBL614309, CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A, T-cells",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCCCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL558355,None,6.97,"CHEMBL364,CHEMBL364",4,"Homo sapiens, Plasmodium falciparum",4,"CHEMBL614245, CHEMBL364","Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC(C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3099816,None,8.62,CHEMBL614657,4,"Homo sapiens, Rattus norvegicus",4,"CHEMBL614004, CHEMBL395, CHEMBL614657, CHEMBL387","HepG2, MCF7, C6, A2780",CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)(C)O)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O
CHEMBL3099598,None,8.54,CHEMBL614657,4,"Homo sapiens, Rattus norvegicus",4,"CHEMBL614004, CHEMBL395, CHEMBL614657, CHEMBL387","HepG2, MCF7, C6, A2780",CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)(C)O)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O
CHEMBL1873644,None,7.77,CHEMBL2731,4,"Homo sapiens, Caenorhabditis elegans, None",4,"CHEMBL612545, CHEMBL2731, CHEMBL2146298","Unchecked, Galanin receptor 3, Protein skinhead-1",CC[C@H](C)C1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)O[C@H](CC)CCC[C@@H](O)[C@@H](C)C(=O)O[C@H](C)[C@@H](C)C/C=C(C)/C(OC)=C\C(=O)N1C
CHEMBL2371447,None,7.92,CHEMBL389,4,"Mus musculus, Homo sapiens",4,"CHEMBL384, CHEMBL389","HT-29, P388",Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2369146,None,7.62,CHEMBL386,4,Mus musculus,4,CHEMBL386,L1210,Cc1c2oc3c(C)c(OCC4CO4)cc(C(=O)N[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
CHEMBL3704747,None,9.51,CHEMBL1949,4,Homo sapiens,4,"CHEMBL1697668, CHEMBL6020, CHEMBL1949, CHEMBL1743121","Solute carrier organic anion transporter family member 1B1, Solute carrier organic anion transporter family member 1B3, Cyclophilin A, Bile salt export pump",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cc(O)cc(F)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N2CCCCO2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL2371444,None,7.17,CHEMBL384,4,"Mus musculus, Homo sapiens, Rattus norvegicus",4,"CHEMBL384, CHEMBL389, CHEMBL376","HT-29, Rattus norvegicus, P388",Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2371448,None,7.26,CHEMBL389,4,"Mus musculus, Homo sapiens",4,"CHEMBL384, CHEMBL389","HT-29, P388",Cc1c2oc3c(C)c4oc(CC(=O)NCCCCN)nc4c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL1649722,None,5.24,"CHEMBL2366800,CHEMBL2366800",4,"Staphylococcus aureus subsp. aureus, Homo sapiens, Enterococcus faecium",4,"CHEMBL5748, CHEMBL2366800, CHEMBL357","Staphylococcus aureus subsp. aureus, Enterococcus faecium, Canalicular multispecific organic anion transporter 1",CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C
CHEMBL396293,None,5.72,CHEMBL365,4,"Candida albicans, Cryptococcus neoformans, Mycobacterium intracellulare, Aspergillus fumigatus",4,"CHEMBL365, CHEMBL363, CHEMBL366, CHEMBL612640","Candida albicans, Filobasidiella neoformans, Mycobacterium intracellulare, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)OC(C)=O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL388681,None,5.72,CHEMBL365,4,"Candida albicans, Cryptococcus neoformans, Mycobacterium intracellulare, Aspergillus fumigatus",4,"CHEMBL365, CHEMBL363, CHEMBL366, CHEMBL612640","Candida albicans, Filobasidiella neoformans, Mycobacterium intracellulare, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCc2cccs2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1357195,None,8.8,CHEMBL1293235,4,Homo sapiens,4,"CHEMBL1293235, CHEMBL340","Cytochrome P450 3A4, Prelamin-A/C",CO[C@H]1C[C@@H](O[C@H]2[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@]3(CO3)C[C@@H](C)[C@@H](O[C@@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3O)[C@H]2C)O[C@@H](C)[C@H]1O
CHEMBL216295,None,10.7,CHEMBL4077,4,Mus musculus,4,"CHEMBL3719, CHEMBL4774, CHEMBL4489, CHEMBL4077","Melanocortin receptor 1, Melanocortin receptor 5, Melanocortin receptor 3, Melanocortin receptor 4",CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)ONCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
CHEMBL1774627,None,6.98,CHEMBL364,4,"Homo sapiens, Plasmodium falciparum",4,"CHEMBL614245, CHEMBL364","Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL553183,None,6.92,CHEMBL364,4,"Homo sapiens, Plasmodium falciparum",4,"CHEMBL614245, CHEMBL364","Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774626,None,6.77,CHEMBL364,4,"Homo sapiens, Plasmodium falciparum",4,"CHEMBL614245, CHEMBL364","Plasmodium falciparum, THP-1",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL12282,None,9.97,CHEMBL3066,4,"Homo sapiens, Rattus norvegicus",4,"CHEMBL3066, CHEMBL2456, CHEMBL1855","Luteinizing hormone/Choriogonadotropin receptor, Gonadotropin-releasing hormone receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C
CHEMBL2206964,None,10.15,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccc(OC)cc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206965,None,10.15,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4cccc(OC)c4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206966,None,10.05,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccccc4OC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL3823642,None,10.4,CHEMBL379,4,Hepatitis C virus,4,CHEMBL379,Hepatitis C virus,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OC/C=C/CCCO7)n5)cc4)cc3c2)[nH]1)C(C)C
CHEMBL1773086,None,6.22,"CHEMBL612888,CHEMBL612888",4,Toxoplasma gondii,4,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1241239,CONCANAMYCIN A,8.35,CHEMBL364,4,Plasmodium falciparum,4,CHEMBL364,Plasmodium falciparum,C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C
CHEMBL2206972,None,9.92,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(NC4CCCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206963,None,10.3,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206967,None,9.74,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccc(F)cc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1774451,None,6.22,CHEMBL612888,4,Toxoplasma gondii,4,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(C)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL403894,None,9.0,CHEMBL612545,4,None,4,CHEMBL612545,Unchecked,CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)COS(=O)(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL2206971,None,10.15,CHEMBL612545,4,"Hepatitis C virus, None",4,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(N4CCCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL3895930,None,8.36,CHEMBL2095194,4,Homo sapiens,4,"CHEMBL4444, CHEMBL2095194, CHEMBL2319, CHEMBL244","Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCOCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL1643634,11ALPHA-METHOXYCURVULARIN,5.64,CHEMBL397,4,"Homo sapiens, None",4,"CHEMBL612794, CHEMBL612545, CHEMBL385, CHEMBL397","Unchecked, K562, U-937, Jurkat",CO[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
CHEMBL114878,None,8.34,CHEMBL3332,4,"Homo sapiens, Sus scrofa",4,"CHEMBL3332, CHEMBL372, CHEMBL4393, CHEMBL4588","Matrix metalloproteinase 8, Matrix metalloproteinase 12, Homo sapiens, ADAM17",O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)[C@@H](C(=O)NO)CCCO1
CHEMBL3317818,None,9.21,CHEMBL325,4,Homo sapiens,4,"CHEMBL1829, CHEMBL3192, CHEMBL325, CHEMBL1937","Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CC(C)(C)OC(=O)n1cnc(C[C@@H]2NC(=O)[C@]3(C)CSC(=N3)c3csc(n3)CNC(=O)C[C@@H](/C=C/CCS)OC2=O)c1
CHEMBL2152380,None,6.4,CHEMBL6080,4,Mus musculus,4,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL419849,None,6.54,CHEMBL3879801,4,"None, Rattus norvegicus",4,"CHEMBL613518, CHEMBL614741, CHEMBL3879801","NRK, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NCc2cccnc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL3317817,None,9.02,CHEMBL325,4,Homo sapiens,4,"CHEMBL1829, CHEMBL3192, CHEMBL325, CHEMBL1937","Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL411694,"3-DEOXY-2,3-DIDEHYDRO-EPO A",8.06,CHEMBL387,4,"Homo sapiens, None",4,"CHEMBL3879801, CHEMBL612545, CHEMBL394, CHEMBL387","Unchecked, MCF7, HCT-116, NON-PROTEIN TARGET",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)/C=C/C(=O)O1
CHEMBL261834,3-DEOXY-EPO A,7.23,CHEMBL387,4,"Homo sapiens, None",4,"CHEMBL3879801, CHEMBL612545, CHEMBL394, CHEMBL387","Unchecked, MCF7, HCT-116, NON-PROTEIN TARGET",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
CHEMBL84564,None,7.08,CHEMBL3879801,4,"None, Rattus norvegicus",4,"CHEMBL613518, CHEMBL614741, CHEMBL3879801","NRK, 3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NCCc2cccn2C)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL474321,MIGRASTATIN,5.34,CHEMBL400,4,"Mus musculus, Homo sapiens",4,"CHEMBL400, CHEMBL612589","4T1, MDA-MB-231",CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O
CHEMBL2323289,None,4.85,CHEMBL1829,4,Homo sapiens,4,"CHEMBL1829, CHEMBL1937, CHEMBL325, CHEMBL4145","Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2cn(nn2)CC(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL488624,None,5.75,"CHEMBL400,CHEMBL612589",4,"Mus musculus, Homo sapiens",4,"CHEMBL400, CHEMBL612589","4T1, MDA-MB-231",CO[C@H]1/C=C/CC/C=C/C(=O)O[C@H]([C@H](C)C(=O)C[C@H](O)CC2CC(=O)NC(=O)C2)/C(C)=C\[C@@H](C)[C@@H]1O
CHEMBL409855,BEAUVERIOLIDE III,6.4,CHEMBL612545,4,"Homo sapiens, None, Chlorocebus aethiops",4,"CHEMBL612545, CHEMBL2782, CHEMBL3879850","Unchecked, Sterol O-acyltransferase 1, Acyl coenzyme A:cholesterol acyltransferase 1",CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1
CHEMBL3809352,None,8.4,CHEMBL2319,4,Homo sapiens,4,"CHEMBL204, CHEMBL2095194, CHEMBL2319, CHEMBL244","Kallikrein 1, Coagulation factor VII/tissue factor, Coagulation factor X, Thrombin",C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
CHEMBL1714012,None,4.96,CHEMBL612545,4,"None, Rattus norvegicus",4,"CHEMBL614576, CHEMBL612545","Unchecked, H9c2",O=C(C[C@@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)NCCO
CHEMBL1736166,None,5.29,CHEMBL612545,4,None,4,"CHEMBL612545, CHEMBL2362975","No relevant target, Unchecked",O=C(C[C@@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)NCCO
CHEMBL1414358,None,5.6,CHEMBL3577,4,Homo sapiens,4,"CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1",CO[C@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL522107,WORTMANNILACTONE A,4.54,CHEMBL3879801,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL3879801, CHEMBL385","NON-PROTEIN TARGET, K562, A549",CC(O)CC1C/C=C/C=C/C=C/C(O)CC(O)CC(O)C/C=C/C=C/C=C/C(=O)O1
CHEMBL85010,None,7.03,CHEMBL3879801,4,"None, Rattus norvegicus",4,"CHEMBL613518, CHEMBL614741, CHEMBL3879801","NRK, 3Y1 cell line, NON-PROTEIN TARGET",CCOCCNC(=O)CO/N=C1\C=C\C=C/[C@H]2O[C@@H]2C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL4061025,None,8.8,CHEMBL325,4,Homo sapiens,4,"CHEMBL1865, CHEMBL3524, CHEMBL325, CHEMBL1937","Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 1",C/C=C1\NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CS)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1513824,None,5.3,"CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL3397, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2C9",CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@@H]1C
CHEMBL1514135,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL289, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2D6",CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C
CHEMBL235082,None,8.8,CHEMBL325,4,Homo sapiens,4,"CHEMBL2093865, CHEMBL1865, CHEMBL325, CHEMBL387","Histone deacetylase 6, Histone deacetylase 1, MCF7, Histone deacetylase",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O2
CHEMBL1590173,None,5.7,CHEMBL289,4,Homo sapiens,4,"CHEMBL289, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2D6",CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)CCC[C@@H]1C
CHEMBL1323656,None,5.4,"CHEMBL3577,CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1",CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](OC)[C@H](C)COC(=O)C/C=C\[C@H]1C
CHEMBL1796688,SPIRUCHOSTATIN A,8.48,CHEMBL2093865,4,"Homo sapiens, None",4,"CHEMBL2093865, CHEMBL394, CHEMBL3879801, CHEMBL613984","IGROV-1, Histone deacetylase, HCT-116, NON-PROTEIN TARGET",C=C(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O
CHEMBL2323290,None,6.05,CHEMBL1829,4,Homo sapiens,4,"CHEMBL1829, CHEMBL1937, CHEMBL325, CHEMBL4145","Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3, Histone deacetylase 1",CC(C)[C@@H]1NC(=O)Cn2cc(nn2)-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL1551021,None,5.5,CHEMBL289,4,Homo sapiens,4,"CHEMBL289, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2D6",C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1
CHEMBL2323286,None,7.51,CHEMBL1829,4,Homo sapiens,4,"CHEMBL1829, CHEMBL1937, CHEMBL325, CHEMBL4145","Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3, Histone deacetylase 1",CC(C)[C@@H]1NC(=O)Cn2nnc(n2)-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL2323288,None,6.19,CHEMBL1829,4,Homo sapiens,4,"CHEMBL1829, CHEMBL1937, CHEMBL325, CHEMBL4145","Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3, Histone deacetylase 1",CC(C)[C@@H]1NC(=O)Cn2nnnc2-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL1668412,None,5.92,CHEMBL2007,4,Homo sapiens,4,"CHEMBL2007, CHEMBL1974, CHEMBL397","Tyrosine-protein kinase receptor FLT3, Jurkat, Platelet-derived growth factor receptor alpha",COc1cc(O)c2c(c1)/C=C/CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O
CHEMBL393258,LASIODIPLODIN,4.7,CHEMBL612794,4,"Homo sapiens, Spinacia oleracea",4,"CHEMBL612794, CHEMBL612824","Spinacia oleracea, U-937",COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCC2
CHEMBL1643633,11BETA-METHOXYCURVULARIN,5.75,CHEMBL612794,4,"Homo sapiens, None",4,"CHEMBL612794, CHEMBL612545, CHEMBL385, CHEMBL397","Unchecked, K562, U-937, Jurkat",CO[C@@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1
CHEMBL3352927,None,5.75,CHEMBL3879801,4,None,4,CHEMBL3879801,NON-PROTEIN TARGET,C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL508049,LYNGBYABELLIN B,7.0,CHEMBL612566,4,"Homo sapiens, None",4,"CHEMBL384, CHEMBL612558, CHEMBL399, CHEMBL612566","HT-29, HeLa, CA46, ADMET",CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CSC(=N2)[C@H](C(C)(C)O)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2
CHEMBL393360,None,8.8,CHEMBL325,4,Homo sapiens,4,"CHEMBL2093865, CHEMBL1865, CHEMBL325, CHEMBL387","Histone deacetylase 6, Histone deacetylase 1, MCF7, Histone deacetylase",CC(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O
CHEMBL582439,ZAMPANOLIDE,8.37,CHEMBL383,4,"Homo sapiens, None",4,"CHEMBL614075, CHEMBL614004, CHEMBL3879801, CHEMBL383","HL-60, NON-PROTEIN TARGET, 1A9, A2780",C=C1C[C@H]2/C=C(\C)C[C@@H]([C@H](O)NC(=O)/C=C\C=C\C)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@@H](C1)O2
CHEMBL324550,None,8.55,CHEMBL3332,4,"Homo sapiens, Sus scrofa",4,"CHEMBL3332, CHEMBL321, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Homo sapiens, ADAM17, Matrix metalloproteinase 9",O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)[C@@H](C(=O)NO)CCCO1
CHEMBL232215,None,6.82,CHEMBL614285,4,"Homo sapiens, None",4,"CHEMBL612588, CHEMBL614139, CHEMBL614285, CHEMBL614877","PANC-1, ASPC1, NCI, DLD-1",C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C
CHEMBL3352925,None,6.52,CHEMBL3879801,4,None,4,CHEMBL3879801,NON-PROTEIN TARGET,C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL257328,None,8.0,CHEMBL614285,4,"Homo sapiens, None",4,"CHEMBL612588, CHEMBL614139, CHEMBL614285, CHEMBL3879801","PANC-1, ASPC1, NON-PROTEIN TARGET, DLD-1",C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)CC[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C
CHEMBL3352928,None,5.19,CHEMBL3879801,4,None,4,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)CCCCCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@@H]([C@@H](O)C(N)=O)NC(=O)CN(C)C(=O)CCC(C)NC(=O)[C@H]1C
CHEMBL3901391,None,9.64,"CHEMBL2095194,CHEMBL3991",4,Homo sapiens,4,"CHEMBL2095194, CHEMBL2319, CHEMBL3991","Coagulation factor VII/tissue factor, Coagulation factor VII, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
CHEMBL3909009,None,9.0,"CHEMBL2095194,CHEMBL3991",4,Homo sapiens,4,"CHEMBL2095194, CHEMBL2319, CHEMBL3991","Coagulation factor VII/tissue factor, Coagulation factor VII, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
CHEMBL432990,None,9.19,CHEMBL333,4,"Homo sapiens, Sus scrofa",4,"CHEMBL3332, CHEMBL321, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Homo sapiens, ADAM17, Matrix metalloproteinase 9",O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCOCC2)NC(=O)[C@H](Cc2ccc(-c3c(F)cccc3F)cc2)[C@@H](C(=O)NO)CCCO1
CHEMBL3126417,None,7.14,CHEMBL612545,4,"Homo sapiens, None",4,"CHEMBL614917, CHEMBL612545, CHEMBL399","Unchecked, HeLa, SK-MEL-2",CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN1CCOCC1
CHEMBL395497,None,8.62,CHEMBL614285,4,"Homo sapiens, None",4,"CHEMBL612588, CHEMBL614139, CHEMBL614285, CHEMBL614877","PANC-1, ASPC1, NCI, DLD-1",C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](OC)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C
CHEMBL3352926,None,6.68,CHEMBL3879801,4,None,4,CHEMBL3879801,NON-PROTEIN TARGET,C=C1/C=C/C(=O)N(C)CC(=O)NC(C(O)C(N)=O)C(=O)OC(C(C)CCCCCCCCCCCCC(C)C)C(C)C(=O)N1
CHEMBL1730563,None,5.01,CHEMBL612545,4,None,4,CHEMBL612545,Unchecked,O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL325421,None,8.43,CHEMBL3332,4,"Homo sapiens, Sus scrofa",4,"CHEMBL3332, CHEMBL321, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Homo sapiens, ADAM17, Matrix metalloproteinase 9",O=C1NCCCC[C@@H](C(=O)NCC(=O)N2CCNCC2)NC(=O)[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)[C@@H](C(=O)NO)CCCO1
CHEMBL85612,None,7.0,CHEMBL3879801,4,"None, Rattus norvegicus",4,"CHEMBL613518, CHEMBL614741, CHEMBL3879801","NRK, 3Y1 cell line, NON-PROTEIN TARGET",CCN(CC)c1ccc(NC(=O)CO/N=C2\C=C\C=C/[C@H]3O[C@@H]3C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3C2)cc1
CHEMBL1436441,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL3356, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 1A2",CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)[C@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL3622728,None,6.78,CHEMBL325,4,Homo sapiens,4,"CHEMBL1829, CHEMBL5103, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1",C/C=C1\NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1730133,None,4.96,CHEMBL614576,4,"None, Rattus norvegicus",4,"CHEMBL614576, CHEMBL612545","Unchecked, H9c2",CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O
CHEMBL3978562,None,9.55,CHEMBL2095194,4,Homo sapiens,4,"CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244","Coagulation factor VII/tissue factor, Coagulation factor XI, Coagulation factor X, Kallikrein 1",CCOP(=O)(O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL1408822,None,5.4,CHEMBL289,4,Homo sapiens,4,"CHEMBL289, CHEMBL340","Cytochrome P450 3A4, Cytochrome P450 2D6",CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL3410864,None,4.46,CHEMBL399,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399","HeLa, NON-PROTEIN TARGET, ADMET, A549",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3cccc([N+](=O)[O-])c3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410862,None,4.26,CHEMBL399,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL612558, CHEMBL399, CHEMBL3879801","HeLa, NON-PROTEIN TARGET, ADMET, A549",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc(Br)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL234271,None,6.1,CHEMBL614285,4,"Homo sapiens, None",4,"CHEMBL612588, CHEMBL614139, CHEMBL614285, CHEMBL614877","PANC-1, ASPC1, NCI, DLD-1",C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)CCCC[C@@H](O)[C@@H]1C
CHEMBL3410857,None,5.0,CHEMBL392,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL612558, CHEMBL399, CHEMBL3879801","HeLa, NON-PROTEIN TARGET, ADMET, A549",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc([N+](=O)[O-])cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410865,None,4.89,CHEMBL392,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399","HeLa, NON-PROTEIN TARGET, ADMET, A549",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccccc3[N+](=O)[O-])OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL1594011,None,5.85,CHEMBL3577,4,Homo sapiens,4,"CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1",Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c3ccc(C)cc3)COC(=O)C/C=C\[C@@H]2C)cc1
CHEMBL3410863,None,4.96,CHEMBL392,4,"Homo sapiens, None",4,"CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399","HeLa, NON-PROTEIN TARGET, ADMET, A549",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc([N+](=O)[O-])cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3823627,None,6.42,"CHEMBL400,CHEMBL387",4,"Homo sapiens, None",4,"CHEMBL400, CHEMBL3879801, CHEMBL614879, CHEMBL387","RKO, NON-PROTEIN TARGET, MCF7, MDA-MB-231",CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)/C=C/[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C
CHEMBL400530,None,8.7,CHEMBL4822,4,Homo sapiens,4,"CHEMBL2525, CHEMBL2581, CHEMBL4822","Beta-secretase 1, Cathepsin D, Beta secretase 2",CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL288124,None,5.27,CHEMBL4302,4,Homo sapiens,4,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL1318565,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",4,Homo sapiens,4,"CHEMBL1963, CHEMBL340","Thyroid stimulating hormone receptor, Cytochrome P450 3A4",CO[C@@H]1COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL4069575,None,7.64,CHEMBL3991,4,Homo sapiens,4,"CHEMBL2319, CHEMBL3991, CHEMBL244","Coagulation factor VII, Coagulation factor X, Kallikrein 1",CCc1cc2ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1
CHEMBL323929,None,8.42,CHEMBL3332,4,"Homo sapiens, Sus scrofa",4,"CHEMBL3332, CHEMBL321, CHEMBL372, CHEMBL333","Matrix metalloproteinase-2, Homo sapiens, ADAM17, Matrix metalloproteinase 9",CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C(=O)N1
CHEMBL1682444,None,7.37,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682445,None,7.43,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682610,None,6.48,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccsc2C(=O)OC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682706,None,6.73,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682703,None,6.39,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NCCc2cccs2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL443430,KABIRAMIDE C,6.33,CHEMBL387,3,"Plasmodium falciparum K1, Homo sapiens, None",3,"CHEMBL387, CHEMBL612558, CHEMBL612856","Plasmodium falciparum (isolate K1 / Thailand), MCF7, ADMET",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O
CHEMBL1682726,None,5.68,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCN2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL275935,None,9.87,CHEMBL2456,3,"Homo sapiens, Rattus norvegicus",3,"CHEMBL3066, CHEMBL2456, CHEMBL1855","Luteinizing hormone/Choriogonadotropin receptor, Gonadotropin-releasing hormone receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL1682576,None,6.91,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2F)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL273275,None,8.93,CHEMBL3066,3,"Homo sapiens, Rattus norvegicus",3,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL1682590,None,6.79,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc(F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682468,None,7.27,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682583,None,7.14,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682572,None,6.94,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc(F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682609,None,6.51,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cc(C)oc2C(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682460,None,7.04,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(Cl)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682574,None,6.93,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc(Cl)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682593,None,6.77,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Br)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682451,None,7.19,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc3nsnc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682465,None,7.05,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc3nsnc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682578,None,7.05,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(F)c(F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4103858,None,7.9,CHEMBL1902,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC(=O)N2CCN(C)CC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL1682597,None,7.06,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2c(F)cccc2F)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1946562,None,8.0,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)CNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682580,None,7.13,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc(SC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682449,None,7.46,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682584,None,7.05,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1681796,None,7.37,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cc(Cl)cc(Cl)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL262698,None,8.27,"CHEMBL375,CHEMBL614766",3,"Mus musculus, Homo sapiens",3,"CHEMBL614766, CHEMBL1902, CHEMBL375","Mus musculus, Murine T-cell line, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1668121,PITIPROLAMIDE,4.48,"CHEMBL394,CHEMBL387",3,"Bacillus cereus, Homo sapiens",3,"CHEMBL613070, CHEMBL394, CHEMBL387","Bacillus cereus, MCF7, HCT-116",CCC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)Cc2ccccc2)NC(=O)[C@@H]2CCN(C2)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C1(C)C
CHEMBL1682728,None,6.1,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCN(CC)CC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682727,None,5.89,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCN2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682725,None,5.52,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCN2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682586,None,6.95,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NCC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682595,None,6.76,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC2CC3C=CC2C3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682709,None,6.59,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(OC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682599,None,7.11,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(OC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682591,None,7.15,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(C)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682446,None,7.52,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682453,None,7.3,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682573,None,7.27,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cc(F)ccc2C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682606,None,6.96,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682592,None,6.76,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc3c(c2)OCO3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682607,None,6.97,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(=O)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682575,None,7.2,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(OC(F)F)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682598,None,7.01,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682456,None,7.3,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(C#N)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682458,None,7.13,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682454,None,7.14,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682459,None,7.08,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(Cl)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1215859,HOIAMIDE B,7.1,CHEMBL612545,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL396","Unchecked, NCI-H460",CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C
CHEMBL1682455,None,7.13,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)c(F)c2F)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682713,None,6.56,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,C=CCNC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1682700,None,6.69,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCSC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682708,None,6.36,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682701,None,6.73,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCCCNC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1682714,None,6.26,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccs2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL273387,None,8.35,CHEMBL3066,3,"Homo sapiens, Rattus norvegicus",3,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL525420,E-DEHYDROAPRATOXIN A,7.39,CHEMBL384,3,Homo sapiens,3,"CHEMBL384, CHEMBL399, CHEMBL615023","U2OS, HT-29, HeLa",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C/C=C(\C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL2206968,None,7.57,CHEMBL379,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4cccnc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2063080,None,10.3,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3nc(-c4ccccc4)cc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2204317,None,10.54,CHEMBL379,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",COc1cc2nc(-c3ccccc3)cc3c2cc1/C=C/CC(C)(C)COC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@H](CN2C1=O)O3
CHEMBL1682707,None,6.37,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682721,None,6.17,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC2CC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682722,None,6.31,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCC(C)NC(=O)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL2207331,None,6.23,CHEMBL385,3,Homo sapiens,3,"CHEMBL392, CHEMBL385, CHEMBL387","MCF7, K562, A549",C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
CHEMBL2207332,None,6.03,CHEMBL385,3,Homo sapiens,3,"CHEMBL392, CHEMBL385, CHEMBL387","MCF7, K562, A549",C/C=C(\C)[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C)C(=O)O1
CHEMBL1355410,None,4.5,"CHEMBL340,CHEMBL340",3,"Bacillus subtilis, Homo sapiens",3,"CHEMBL340, CHEMBL1293248","Cytochrome P450 3A4, 4'-phosphopantetheinyl transferase ffp",CCC1OC(=O)C(C)C(=O)C(C)[C@@H](OC2OC(C)CC(N(C)C)C2O)C(C)(OC)C2(CCCn3cnc(-c4cccnc4)c3)CC(C)C(=O)C(C)C3N(C2)C(=O)O[C@]13C
CHEMBL2206958,None,8.72,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(C)ccc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2206959,None,9.1,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(C#N)ccc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1774623,None,6.14,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682724,None,5.7,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCNC(=O)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1682730,None,4.89,"CHEMBL364,CHEMBL364,CHEMBL364",3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCl)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1492454,None,4.9,CHEMBL1293227,3,Homo sapiens,3,"CHEMBL1293227, CHEMBL340","Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2",CCOC(=O)CCC(=O)O[C@H]1C(O[C@@H]2C(C)[C@H](O[C@H]3C[C@@](C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)[C@@](C)(O)C(O)[C@H](C)C(=O)C(C)C[C@]2(C)O)OC(C)CC1N(C)C
CHEMBL2052020,None,9.15,"CHEMBL612545,CHEMBL1902",3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",CC[C@@H]1/C=C(/C)[C@@H](O)[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1682719,None,6.43,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCCCNC(=O)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1682717,None,6.39,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC(C)(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3735736,None,8.05,CHEMBL1865,3,Homo sapiens,3,"CHEMBL3192, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 8, Histone deacetylase 1",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL1682604,None,6.62,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCc2ccco2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3735212,None,7.76,CHEMBL1865,3,Homo sapiens,3,"CHEMBL3192, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 8, Histone deacetylase 1",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3cccc(-c4cn(CCCCCC(=O)NO)nn4)c3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL1802299,KABIRAMIDE D,7.7,CHEMBL387,3,"Plasmodium falciparum K1, Homo sapiens, None",3,"CHEMBL387, CHEMBL612558, CHEMBL612856","Plasmodium falciparum (isolate K1 / Thailand), MCF7, ADMET",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O
CHEMBL554981,KABIRAMIDE B,6.35,CHEMBL387,3,"Plasmodium falciparum K1, Homo sapiens, None",3,"CHEMBL387, CHEMBL612558, CHEMBL612856","Plasmodium falciparum (isolate K1 / Thailand), MCF7, ADMET",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O
CHEMBL437538,None,7.92,CHEMBL248,3,"Homo sapiens, Sus scrofa",3,"CHEMBL2096984, CHEMBL248","Leukocyte elastase, Pancreatic elastase",C/C=C1\NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)C(C)C)CCCNC(=O)Nc3cc(O)c(O)cc3C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL3823434,None,9.0,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc5c(c4)OCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4c4ncc-5[nH]4)ccc3c2[nH]1)C(C)C
CHEMBL3824087,None,11.0,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCCCCCO7)n5)cc4)ccc3c2[nH]1)C(C)C
CHEMBL3822850,None,11.0,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCC/C=C/CO7)n5)cc4)ccc3c2[nH]1)C(C)C
CHEMBL1682716,None,6.56,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC2CCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682729,None,4.89,"CHEMBL364,CHEMBL364,CHEMBL364",3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2c(C)noc2C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682712,None,6.54,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NCc2ccco2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682718,None,6.1,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccnc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3220756,None,8.39,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)Nc2ccccn2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL1354988,None,4.85,CHEMBL1293235,3,"Homo sapiens, None",3,"CHEMBL1293226, CHEMBL612545, CHEMBL1293235","Unchecked, Lysine-specific demethylase 4D-like, Prelamin-A/C",CCC1OC(=O)C[C@H](O)C(C)[C@@H](O[C@@H]2OC(C)C(O)C(N(C)C)C2O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)/C=C/C(C)=C\[C@@H]1COC1OC(C)C(O)C(OC)C1OC
CHEMBL1774304,None,5.3,CHEMBL612888,3,Toxoplasma gondii,3,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN(Cc2ccccc2)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL2041387,None,6.65,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CCCNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2207718,None,9.14,CHEMBL392,3,Homo sapiens,3,"CHEMBL392, CHEMBL385, CHEMBL387","A549, K562, MCF7",C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C
CHEMBL275467,None,8.54,CHEMBL3066,3,"Homo sapiens, Rattus norvegicus",3,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL3734952,None,7.11,CHEMBL1865,3,Homo sapiens,3,"CHEMBL3192, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 8, Histone deacetylase 1",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL273440,None,9.63,CHEMBL3066,3,"Homo sapiens, Rattus norvegicus",3,"CHEMBL3066, CHEMBL2456, CHEMBL1855","Luteinizing hormone/Choriogonadotropin receptor, Gonadotropin-releasing hormone receptor",CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL4100293,None,6.24,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,COC(CC1OC(=O)CC(O)CCCC(=O)CC(C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC(OC)C1C)C(C)CCC(O)C(C)C(OC(C)=O)C(C)/C=C/N(C)C=O
CHEMBL4062097,None,6.64,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O
CHEMBL2206979,None,8.7,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C(C)C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL538623,DESMETHOXYMAJUSCULAMIDE C,7.7,CHEMBL394,3,Homo sapiens,3,"CHEMBL396, CHEMBL394, CHEMBL614697","MDA-MB-435, HCT-116, NCI-H460",CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CNC1=O
CHEMBL1682704,None,6.64,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4066107,None,7.87,CHEMBL1902,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N(CCO)CCO)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL1682589,None,7.05,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774940,HOMOTEMSIROLIMUS A,9.0,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL3879801, CHEMBL612518","LNCaP, NON-PROTEIN TARGET, Serine/threonine-protein kinase mTOR",CC[C@@H]1CC[C@H]2C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)C[C@@H]([C@H](C)C[C@@H]3CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O)O2
CHEMBL1774941,HOMOTEMSIROLIMUS B,8.3,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL3879801, CHEMBL612518","LNCaP, NON-PROTEIN TARGET, Serine/threonine-protein kinase mTOR",CC[C@@H]1/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C1
CHEMBL3577055,None,6.66,CHEMBL2367107,3,"Plasmodium falciparum D6, Plasmodium falciparum",3,"CHEMBL2367107, CHEMBL364","Plasmodium falciparum D6, Plasmodium falciparum",C#CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL264568,None,9.47,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@H](O)c4ccc5ccccc5c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL407332,None,9.48,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@@H](O)c4ccc5ccccc5c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1682577,None,6.9,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)N[C@H]2CCCC[C@H]2OCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682603,None,6.63,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041385,None,7.72,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CCCNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682587,None,6.84,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682448,None,7.26,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc(-c3ccccc3)c2OC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682447,None,7.42,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(c2ccccc2)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3884919,None,5.8,CHEMBL6136,3,Homo sapiens,3,CHEMBL6136,Lysine-specific histone demethylase 1,CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@@H](C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC1=O
CHEMBL540229,None,6.59,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)Nc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL563766,None,6.94,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)Nc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL269553,None,8.24,CHEMBL2842,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL614167","Serine/threonine-protein kinase mTOR, T-lymphocytes",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2CC[C@@H](OC(=O)N(C)OC)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL1682582,None,6.86,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682594,None,6.76,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(N(C)C)c3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682462,None,7.32,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682581,None,6.86,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL305081,None,9.47,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@H](O)c4cc(C)cc(C)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL275103,None,9.64,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@@H](O)c4cc(C)cc(C)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL268110,None,9.33,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@H](O)c4cc5ccccc5s4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1774942,HOMOTEMSIROLIMUS C,8.3,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL3879801, CHEMBL612518","LNCaP, NON-PROTEIN TARGET, Serine/threonine-protein kinase mTOR",CC[C@@H]1/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC1=O
CHEMBL1945693,None,6.46,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1946557,None,8.7,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNc3ccnc4ccc(Cl)cc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3220667,None,5.2,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL71458,None,9.82,CHEMBL372,3,"Homo sapiens, None",3,"CHEMBL372, CHEMBL614309, CHEMBL1902","T-cells, Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3218172,None,4.99,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCc5cc(OC)c(OC)c(OC)c5)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N/OCc2cc(OC)c(OC)c(OC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3218171,None,5.41,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCc5cc(OC)c(OC)c(OC)c5)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCc2cc(OC)c(OC)c(OC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3218170,None,5.12,CHEMBL398,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCc5ccccc5)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N/OCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1923810,None,5.76,CHEMBL365,3,"Candida albicans, Cryptococcus neoformans, Aspergillus fumigatus",3,"CHEMBL365, CHEMBL363, CHEMBL366","Candida albicans, Filobasidiella neoformans, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCc2ccc(N3CCOCC3)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3220395,None,4.76,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCc2cc(OC)c(OC)c(OC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1923809,None,6.02,CHEMBL365,3,"Candida albicans, Cryptococcus neoformans, Aspergillus fumigatus",3,"CHEMBL365, CHEMBL363, CHEMBL366","Candida albicans, Filobasidiella neoformans, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCc2ccc(F)c(C)c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3217816,None,4.88,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(=O)N(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N/OCOCCOC)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL388682,None,5.71,CHEMBL365,3,"Candida albicans, Cryptococcus neoformans, Aspergillus fumigatus",3,"CHEMBL365, CHEMBL363, CHEMBL366","Candida albicans, Filobasidiella neoformans, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCCCCCC)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL243279,None,5.67,CHEMBL365,3,"Candida albicans, Cryptococcus neoformans, Aspergillus fumigatus",3,"CHEMBL365, CHEMBL363, CHEMBL366","Candida albicans, Filobasidiella neoformans, Aspergillus fumigatus",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCc2ccncc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3219221,None,4.66,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3577054,None,6.24,CHEMBL2367107,3,"Plasmodium falciparum D6, Plasmodium falciparum",3,"CHEMBL2367107, CHEMBL364","Plasmodium falciparum D6, Plasmodium falciparum",C#CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@H](C)CC)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL3220396,None,5.14,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCOCCOC)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3222012,None,5.36,CHEMBL398,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3222009,None,5.09,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3219220,None,4.75,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3219219,None,4.69,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3222011,None,5.21,CHEMBL398,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\O)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3221254,None,4.9,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL427947,None,6.45,CHEMBL1293232,3,Homo sapiens,3,"CHEMBL1293232, CHEMBL1293224, CHEMBL1293236","ATP-dependent DNA helicase Q1, Microtubule-associated protein tau, Survival motor neuron protein",Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O
CHEMBL1682443,None,7.5,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1945161,None,6.55,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@]12C
CHEMBL266705,None,9.41,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@@H](O)c4cc5ccccc5s4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4105360,None,5.89,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C
CHEMBL1682585,None,7.07,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC2CCCCCCCCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL293155,None,8.52,"CHEMBL375,CHEMBL614309",3,"Mus musculus, Homo sapiens, None",3,"CHEMBL614309, CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A, T-cells",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4083834,None,6.58,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,COCC(OC)C(=O)OC(CCC(C)C(CC1OC(=O)CC(O)CCCC(=O)CC(C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC(OC)C1C)OC)C(C)C(OC(C)=O)C(C)/C=C/N(C)C=O
CHEMBL1215861,None,7.06,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CCC[C@@H](C)[C@H](OC(=O)c1ccc(Br)cc1)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C
CHEMBL1682723,None,5.8,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(N3CCOCC3)nc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682457,None,7.15,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C(C)C)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682450,None,7.55,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)OCCCO3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682467,None,7.15,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]2C)cc1
CHEMBL1682461,None,7.13,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)CCC3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682464,None,7.0,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(-n3cccn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041389,None,7.46,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041388,None,8.0,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682596,None,7.11,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NC(C)(C)CC(C)(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682588,None,6.82,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCC23CC4CC(CC(C4)C2)C3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682466,None,7.33,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCC2CC3CCC2C3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682710,None,6.69,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NCc2ccc(OC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682602,None,6.75,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C)cc2C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682463,None,7.13,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCc1ccc(NC(=O)NCCCN2C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]2C)cc1
CHEMBL1682605,None,7.02,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCc1ccccc1NC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1682600,None,6.87,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCc2ccc3c(c2)OCO3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682702,None,6.4,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(C(C)=O)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682720,None,6.04,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)CCO3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682715,None,6.83,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682601,None,6.66,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cc(F)cc3c2OCOC3)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL65863,None,9.85,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@@H](O)c4ccc(F)c(F)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL431368,None,9.96,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@H](O)c4ccc(F)c(F)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL406186,None,9.21,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL563603,None,6.88,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682452,None,7.28,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041395,None,7.31,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCN(C)Cc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041570,None,7.33,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCN(C)Cc2cnc3ccccc3c2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041391,None,7.89,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCC(=O)NCCNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041381,None,8.05,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682579,None,6.96,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Oc3ccccc3)nc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4079603,None,8.02,CHEMBL1902,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N2CC(N3CCOCC3)C2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL439319,None,8.48,CHEMBL614167,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL614167","Serine/threonine-protein kinase mTOR, T-lymphocytes",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3ncnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL219410,ZOTAROLIMUS,8.7,CHEMBL614167,3,"Homo sapiens, None",3,"CHEMBL2842, CHEMBL614167","Serine/threonine-protein kinase mTOR, T-lymphocytes",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL384325,None,9.1,"CHEMBL614309,CHEMBL614309",3,"Homo sapiens, None",3,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccc(O)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262667,None,8.72,"CHEMBL614309,CHEMBL614309",3,"Homo sapiens, None",3,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL412791,None,9.42,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@H](O)c4cccc(C(F)(F)F)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL405917,None,9.42,CHEMBL375,3,"Mus musculus, Homo sapiens",3,"CHEMBL1902, CHEMBL4445, CHEMBL375","Mus musculus, Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OC[C@@H](O)c4cccc(C(F)(F)F)c4)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4088993,None,6.08,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C
CHEMBL2337633,MYCALOLIDE B,8.33,CHEMBL383,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL3879801, CHEMBL383","HL-60, Unchecked, NON-PROTEIN TARGET",COC[C@@H](OC)C(=O)O[C@H](CC[C@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O
CHEMBL1682608,None,6.53,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(N(CC)CC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682705,None,6.92,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041394,None,7.26,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNCc2ccc3ccccc3n2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041392,None,7.11,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNCc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041393,None,7.34,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNCc2cnc3ccccc3c2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1682711,None,6.31,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2c(C)noc2-c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4084630,None,8.17,CHEMBL1902,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C(O)[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1714949,None,5.2,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)COC1=O
CHEMBL2206981,None,8.96,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4ncco4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL94952,None,10.22,CHEMBL204,3,Homo sapiens,3,"CHEMBL204, CHEMBL1873, CHEMBL209","Trypsin I, Tissue-type plasminogen activator, Thrombin",O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C\COc2ccc(Cl)cc2CN1
CHEMBL2371731,None,6.52,CHEMBL3572,3,Homo sapiens,3,CHEMBL3572,Cholesteryl ester transfer protein,CCCCC(C)C1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O1
CHEMBL2323285,None,5.4,CHEMBL1829,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nnn(n2)CC(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL2323287,None,4.98,CHEMBL1829,3,Homo sapiens,3,"CHEMBL1829, CHEMBL1937, CHEMBL4145","Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nnnn2CC(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL1257966,CALLOPHYCOLIDE A,5.28,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL382, CHEMBL364, CHEMBL612569","Plasmodium falciparum, CCRF-CEM, SHP77",CC(C)=CCC[C@@](C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc2cc(ccc2O)C(=O)O1
CHEMBL1595856,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1/C=C\CC(=O)N[C@@H](C)C(=O)OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)/C=C\CC(=O)OC[C@H]1C
CHEMBL1571027,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
CHEMBL1257967,None,6.42,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1
CHEMBL4073819,None,5.89,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,O=C[C@@H]1CCC(=O)NC/C=C/CCC(c2cccc(Cl)c2)OC(=O)N[C@@H](CC2CCCCC2)C(=O)N1
CHEMBL1365512,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C/[C@@H](C)[C@H]3C=C[C@H](O)[C@@H](COC(=O)C/C=C/[C@H]2C)O3)cc1
CHEMBL505302,HECTOCHLORIN,7.7,CHEMBL612566,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL612558, CHEMBL612566","Unchecked, CA46, ADMET",CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C
CHEMBL94864,None,9.77,CHEMBL204,3,Homo sapiens,3,"CHEMBL204, CHEMBL1873, CHEMBL209","Trypsin I, Tissue-type plasminogen activator, Thrombin",O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C/COc2ccc(Cl)cc2CN1
CHEMBL4089459,None,5.64,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCNC(=O)CC[C@@H](C(=O)C(=O)NC2CC2)NC1=O
CHEMBL4093985,None,5.31,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCCCCC)[C@@H](CCO)C(=O)N1
CHEMBL3827641,None,4.13,CHEMBL391,3,"Homo sapiens, Chlorocebus aethiops",3,"CHEMBL398, CHEMBL387, CHEMBL391","KB, Vero, MCF7",CCCCCCCCOc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O
CHEMBL3827737,None,4.62,CHEMBL391,3,"Homo sapiens, Chlorocebus aethiops",3,"CHEMBL398, CHEMBL387, CHEMBL391","KB, Vero, MCF7",CCCCCCCCOc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL487426,None,7.16,CHEMBL400,3,"Mus musculus, Homo sapiens",3,"CHEMBL400, CHEMBL612589","4T1, MDA-MB-231",C/C1=C/[C@@H](C)CC/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1
CHEMBL1414673,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL3771206,None,6.33,CHEMBL1829,3,Homo sapiens,3,"CHEMBL1829, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 3, Histone deacetylase 1",CC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2ccc(cc2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL3628317,None,6.66,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1[nH]c3ccccc3c1CC(=O)O2
CHEMBL83070,None,8.19,CHEMBL3879801,3,"None, Rattus norvegicus",3,"CHEMBL613518, CHEMBL3014, CHEMBL3879801","NRK, Tyrosine-protein kinase SRC, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1514023,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,C[C@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O
CHEMBL2152376,None,5.4,CHEMBL6080,3,Mus musculus,3,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](Cc2ccccc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL1611678,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL92285,None,9.64,CHEMBL398,3,"Homo sapiens, Sus scrofa",3,"CHEMBL398, CHEMBL614590, CHEMBL613488","KB, KB 3-1, Sus scrofa",C/C1=C/C[C@@H](c2ccc3sc(C)nc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
CHEMBL117192,None,5.09,CHEMBL614328,3,Homo sapiens,3,"CHEMBL614327, CHEMBL614328, CHEMBL614697","MCF7R, MDA-MB-435, MCF7S",CC(C)=C[C@@H]1NC(=O)OC/C=C/c2cccc(c2)C(=O)O[C@H]2C=CC(=O)N3C[C@H](C[C@H]23)OC(=O)[C@@H]1O
CHEMBL3628315,None,6.85,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1cc(-c3ccccc3)ccc1CC(=O)O2
CHEMBL1771487,None,6.96,CHEMBL3192,3,Homo sapiens,3,"CHEMBL3192, CHEMBL2111363, CHEMBL1937","Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)",O=C1CC/C=C/CCC(=O)N(Cc2cccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)c2)C[C@H](c2ccccc2)O1
CHEMBL1771486,None,7.64,CHEMBL3192,3,Homo sapiens,3,"CHEMBL3192, CHEMBL2111363, CHEMBL1937","Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)",O=C1CC/C=C/CCC(=O)N(Cc2cccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)c2)C[C@@H](c2ccccc2)O1
CHEMBL1242284,None,8.31,CHEMBL1250378,3,Homo sapiens,3,"CHEMBL1250378, CHEMBL614647","Splicing factor 3B subunit 3, WiDr",CCNC(=O)O[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@@]1(C)O
CHEMBL152512,None,5.0,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
CHEMBL3926417,None,7.82,CHEMBL2095194,3,Homo sapiens,3,"CHEMBL2095194, CHEMBL2319, CHEMBL2820","Coagulation factor VII/tissue factor, Coagulation factor XI, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(N)=O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL1242564,PLA D,8.48,CHEMBL1250378,3,Homo sapiens,3,"CHEMBL1250378, CHEMBL614647","Splicing factor 3B subunit 3, WiDr",CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
CHEMBL4084776,None,8.15,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CO[C@@H]1CC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C
CHEMBL4082253,None,6.1,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CC(C)[C@@H]1NC(=O)CCCC/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O
CHEMBL1436444,None,5.5,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c3ccc(C)cc3)COC(=O)C/C=C\[C@H]2C)cc1
CHEMBL3410859,None,4.82,CHEMBL392,3,"Homo sapiens, None",3,"CHEMBL392, CHEMBL3879801, CHEMBL399","HeLa, NON-PROTEIN TARGET, A549",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccccc3[N+](=O)[O-])OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410868,None,4.25,CHEMBL392,3,"Homo sapiens, None",3,"CHEMBL392, CHEMBL399, CHEMBL3879801","HeLa, NON-PROTEIN TARGET, A549",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc(Br)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL4063126,None,8.37,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CC(C)[C@@H]1NC(=O)CCCC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O
CHEMBL3410866,None,4.5,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL392, CHEMBL3879801, CHEMBL399","HeLa, NON-PROTEIN TARGET, A549",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410860,None,4.05,CHEMBL399,3,"Homo sapiens, None",3,"CHEMBL392, CHEMBL3879801, CHEMBL399","HeLa, NON-PROTEIN TARGET, A549",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410867,None,4.1,CHEMBL612558,3,"Homo sapiens, None",3,"CHEMBL3879801, CHEMBL612558, CHEMBL399","HeLa, NON-PROTEIN TARGET, ADMET",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3410861,None,4.52,CHEMBL392,3,"Homo sapiens, None",3,"CHEMBL392, CHEMBL399, CHEMBL3879801","HeLa, NON-PROTEIN TARGET, A549",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL3628321,None,7.4,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1
CHEMBL1699691,None,8.12,CHEMBL1961790,3,"Plasmodium falciparum 3D7, Homo sapiens",3,"CHEMBL1961790, CHEMBL3880, CHEMBL1795086","COUP transcription factor 2, HSP90, Heat shock protein HSP 90-alpha",CC(=O)OC1C(=O)OCC23CCC4(C)OC4C2OC2CC(OC(=O)C=CC=CC(=O)OCCC1C)C3(C)C21CO1
CHEMBL3355648,None,5.89,CHEMBL614197,3,Homo sapiens,3,"CHEMBL614129, CHEMBL384, CHEMBL614197","HT-29, MDA-MB-361, NCI-N87",C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/CN)[C@H](O)[C@@H](C)C[C@H](C)C1
CHEMBL464946,ANTILLATOXIN,7.38,CHEMBL612558,3,None,3,"CHEMBL612545, CHEMBL612558","Unchecked, ADMET",C=C1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C
CHEMBL379181,None,6.96,CHEMBL228,3,Homo sapiens,3,"CHEMBL228, CHEMBL238","Dopamine transporter, Serotonin transporter",CN1CCCCCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2
CHEMBL578929,None,7.36,CHEMBL364,3,"None, Plasmodium falciparum",3,"CHEMBL612545, CHEMBL364","Unchecked, Plasmodium falciparum",CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1
CHEMBL1254425,None,5.09,CHEMBL387,3,"Homo sapiens, None",3,"CHEMBL3879801, CHEMBL387","MCF7, NON-PROTEIN TARGET",CC(C)=C[C@@H]1NC(=O)OC/C=C\c2cccc(c2)C(=O)O[C@H]2C=CC(=O)N3C[C@H](C[C@H]23)OC(=O)[C@@H]1O
CHEMBL3628318,None,7.33,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCSC(C)=O)OC(=O)CNC(=O)[C@@H](C(C)C)NC1=O
CHEMBL4100272,None,7.19,"CHEMBL1949,CHEMBL1949",3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CO[C@@H]1CC/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C
CHEMBL1314833,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H]2C)cc1
CHEMBL1604807,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)CCC[C@H]1C)O2
CHEMBL1316072,None,5.2,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2
CHEMBL3827270,None,4.27,CHEMBL391,3,"Homo sapiens, Chlorocebus aethiops",3,"CHEMBL398, CHEMBL387, CHEMBL391","KB, Vero, MCF7",CCCOc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O
CHEMBL3827195,None,4.58,CHEMBL391,3,"Homo sapiens, Chlorocebus aethiops",3,"CHEMBL398, CHEMBL387, CHEMBL391","KB, Vero, MCF7",CCCOc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL3317815,None,8.48,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCCN)NC2=O
CHEMBL393361,None,8.15,CHEMBL2093865,3,Homo sapiens,3,"CHEMBL2093865, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase, Histone deacetylase 1",CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC1=O
CHEMBL3828591,None,4.34,CHEMBL391,3,"Homo sapiens, Chlorocebus aethiops",3,"CHEMBL398, CHEMBL387, CHEMBL391","KB, Vero, MCF7",CCOc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O
CHEMBL3317814,None,8.26,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCN)NC2=O
CHEMBL3317813,None,7.41,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CC(=O)O)NC2=O
CHEMBL1512570,None,4.6,"CHEMBL340,CHEMBL340",3,Homo sapiens,3,"CHEMBL2093861, CHEMBL340","Menin/Histone-lysine N-methyltransferase MLL, Cytochrome P450 3A4",C[C@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@]1(C)O)C2=O
CHEMBL1651522,None,6.75,CHEMBL612545,3,"Homo sapiens, None",3,"CHEMBL279, CHEMBL612545, CHEMBL1936","Unchecked, Vascular endothelial growth factor receptor 2, Stem cell growth factor receptor",COc1cc(O)c2c(c1)CCC[C@H](O)CC(=O)/C=C/C[C@H](C)OC2=O
CHEMBL1434146,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC(=O)CCC[C@H]1C
CHEMBL2375656,None,6.62,CHEMBL236,3,Homo sapiens,3,CHEMBL236,Delta opioid receptor,COc1cc(O)c2c(c1)CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O
CHEMBL1439490,None,4.8,"CHEMBL340,CHEMBL340",3,Homo sapiens,3,"CHEMBL1293236, CHEMBL340","ATP-dependent DNA helicase Q1, Cytochrome P450 3A4",C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@@H]23
CHEMBL1397216,None,5.7,"CHEMBL340,CHEMBL340",3,Homo sapiens,3,"CHEMBL3577, CHEMBL340","Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1",CC1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL1939385,None,9.1,CHEMBL3880,3,Homo sapiens,3,"CHEMBL614197, CHEMBL394, CHEMBL3880","HCT-116, Heat shock protein HSP 90-alpha, NCI-N87",Cc1cc(C)c2cc1C(=O)NCCNC(=O)OCCSc1cc-2nc(N)n1
CHEMBL1939384,None,9.15,CHEMBL3880,3,Homo sapiens,3,"CHEMBL614197, CHEMBL394, CHEMBL3880","HCT-116, Heat shock protein HSP 90-alpha, NCI-N87",Cc1cc(C)c2cc1C(=O)NCCOC(=O)NCCSc1cc-2nc(N)n1
CHEMBL252324,None,6.82,CHEMBL387,3,Homo sapiens,3,"CHEMBL613977, CHEMBL396, CHEMBL387","SF-268, MCF7, NCI-H460",C[C@@H]1C[C@H]2O[C@@H]2C[C@H](O)/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
CHEMBL2407405,None,4.24,CHEMBL613859,3,Homo sapiens,3,"CHEMBL390, CHEMBL383, CHEMBL613859","HL-60, A-375, PC-3",CCO[C@H]1C=C[C@H]2C/C=C\CC[C@H](C)OC(=O)C[C@@H]1O2
CHEMBL1572153,None,6.45,CHEMBL1293232,3,Homo sapiens,3,"CHEMBL2093861, CHEMBL1293232, CHEMBL1075138","Menin/Histone-lysine N-methyltransferase MLL, Tyrosyl-DNA phosphodiesterase 1, Survival motor neuron protein",C[C@H]1CCC/C=C/C2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
CHEMBL2206984,None,8.77,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4ccccc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1413967,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,C[C@H]1COC(=O)CC=C[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC1=O)O2
CHEMBL1489059,None,5.3,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL82435,None,5.82,CHEMBL3879801,3,None,3,"CHEMBL614741, CHEMBL3879801","3Y1 cell line, NON-PROTEIN TARGET",C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NCCO)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL491162,WORTMANNILACTONE B,4.49,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL400, CHEMBL3879801","NON-PROTEIN TARGET, MDA-MB-231",COC1/C=C/C=C/C=C/CC(CC(C)O)OC(=O)/C=C/C=C/C=C/CC(O)CC(O)C1
CHEMBL1532000,None,5.3,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C
CHEMBL3317816,None,8.64,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",CC(C)(C)OC(=O)NCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL3628316,None,6.96,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1cc(OC(F)(F)F)ccc1CC(=O)O2
CHEMBL3317811,None,9.68,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccc(O)cc1)NC2=O
CHEMBL3317810,None,9.54,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccccc1)NC2=O
CHEMBL4097169,None,5.82,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL3628310,None,6.4,"CHEMBL3879801,CHEMBL394",3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1ccccc1CC(=O)O2
CHEMBL3628312,None,6.41,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1ccc(Cl)cc1CC(=O)O2
CHEMBL3628313,None,6.68,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1ccc(Br)cc1CC(=O)O2
CHEMBL3628314,None,6.77,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NCc1cc(Br)ccc1CC(=O)O2
CHEMBL4083679,None,5.51,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CCCCCC1CCCCCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)O1
CHEMBL3218563,None,9.03,CHEMBL325,3,Homo sapiens,3,"CHEMBL3524, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 4, Histone deacetylase 1",CSCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O2
CHEMBL3317812,None,9.7,CHEMBL325,3,Homo sapiens,3,"CHEMBL1829, CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1",C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1c[nH]cn1)NC2=O
CHEMBL3218562,None,9.32,CHEMBL325,3,Homo sapiens,3,"CHEMBL3524, CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 4, Histone deacetylase 1",CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O2
CHEMBL1480885,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
CHEMBL3628304,None,7.57,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)c1cn(nn1)CC(=O)O2
CHEMBL1553161,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL3628305,None,5.6,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@@H]1NC(=O)CC(=O)O[C@@H]2/C=C/CCSSC[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)C2)C(=O)N1
CHEMBL3628307,None,6.47,CHEMBL394,3,"Homo sapiens, None",3,"CHEMBL394, CHEMBL3879801, CHEMBL613984","NON-PROTEIN TARGET, HCT-116, IGROV-1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)NC1CCC(CC1)C(=O)O2
CHEMBL1521010,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]2C)cc1
CHEMBL1378235,None,5.2,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@H]1COC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C
CHEMBL1528606,None,5.2,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL1492373,None,5.2,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C
CHEMBL1437681,None,5.95,CHEMBL1293254,3,"Homo sapiens, Equus caballus",3,"CHEMBL1293224, CHEMBL1293254, CHEMBL3622","Ferritin light chain, Microtubule-associated protein tau, Cytochrome P450 2C19",CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL1436797,None,5.4,"CHEMBL340,CHEMBL340,CHEMBL340",3,Homo sapiens,3,CHEMBL340,Cytochrome P450 3A4,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]2C)cc1
CHEMBL1256598,None,7.37,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@@H]3BOCC3)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL2063079,None,10.7,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL351216,None,8.16,CHEMBL2203,3,"Oryctolagus cuniculus, Homo sapiens",3,"CHEMBL2203, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
CHEMBL1774583,None,5.81,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL289955,None,8.75,CHEMBL5306,3,Oryctolagus cuniculus,3,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL1240972,None,8.49,"CHEMBL1250378,CHEMBL614647",3,Homo sapiens,3,"CHEMBL1250378, CHEMBL614647","Splicing factor 3B subunit 3, WiDr",CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)CC[C@@H]1C
CHEMBL1551842,None,6.95,CHEMBL1293231,3,"Mus musculus, Homo sapiens",3,"CHEMBL2093861, CHEMBL1293231","Nuclear receptor ROR-gamma, Menin/Histone-lysine N-methyltransferase MLL",CC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
CHEMBL599875,None,10.05,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672592,None,10.15,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1Cc3ccccc3C1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL262052,None,8.33,CHEMBL2203,3,"Oryctolagus cuniculus, Homo sapiens",3,"CHEMBL2203, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
CHEMBL43313,None,8.46,CHEMBL5306,3,Oryctolagus cuniculus,3,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL600075,None,9.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](COC(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1671904,None,4.6,"CHEMBL340,CHEMBL340",3,Homo sapiens,3,"CHEMBL240, CHEMBL340","Cytochrome P450 3A4, HERG",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
CHEMBL166221,None,8.22,CHEMBL614328,3,Homo sapiens,3,"CHEMBL613829, CHEMBL394, CHEMBL614328","NCI/ADR-RES, MCF7S, HCT-116",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
CHEMBL166642,None,8.12,CHEMBL2203,3,"Oryctolagus cuniculus, Homo sapiens",3,"CHEMBL2203, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC
CHEMBL297168,None,8.64,CHEMBL5306,3,Oryctolagus cuniculus,3,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL182892,None,7.85,"CHEMBL4822,CHEMBL4822",3,Homo sapiens,3,CHEMBL4822,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC/C=C/CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL591548,None,10.22,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1(C)CCCCC1)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL406517,None,7.36,CHEMBL5306,3,Oryctolagus cuniculus,3,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3392931,None,5.0,CHEMBL364,3,"None, Plasmodium falciparum, Trypanosoma brucei rhodesiense",3,"CHEMBL612348, CHEMBL364, CHEMBL3879801","NON-PROTEIN TARGET, Plasmodium falciparum, Trypanosoma brucei rhodesiense",CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O
CHEMBL353526,None,8.5,CHEMBL2203,3,"Oryctolagus cuniculus, Homo sapiens",3,"CHEMBL2203, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1672600,None,9.43,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(OCC)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672601,None,9.85,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(CC)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672608,None,10.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCCCCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL506069,GERANIIN,5.39,CHEMBL4241,3,"Hepatitis C virus, None, Rattus norvegicus",3,"CHEMBL379, CHEMBL612545, CHEMBL4241","Hepatitis C virus, Unchecked, Squalene monooxygenase",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O
CHEMBL605826,None,10.1,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1(C)CCCCC1)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2063082,None,10.22,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1cc3ccccc3nc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL4098570,None,5.9,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL2206960,None,9.05,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(F)ccc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2063081,None,10.3,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3c(c1)c(nc1ccccc13)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL92538,None,6.23,"CHEMBL286,CHEMBL286,CHEMBL286",3,Homo sapiens,3,CHEMBL286,Renin,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL2206957,None,8.15,CHEMBL379,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4ccc(Cl)cc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1774624,None,6.01,CHEMBL364,3,Plasmodium falciparum,3,CHEMBL364,Plasmodium falciparum,CCNC(=O)NCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL2041390,None,7.6,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL49274,DINACTIN,8.0,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL613503, CHEMBL3879801, CHEMBL614004","NON-PROTEIN TARGET, A2058, A2780",CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
CHEMBL318667,None,7.23,CHEMBL384,3,"Mus musculus, Homo sapiens, Sus scrofa",3,"CHEMBL384, CHEMBL386, CHEMBL3658","HT-29, Tubulin alpha chain, L1210",CC[C@H](C)[C@H]1[C@H](OC)CC(=O)N2CCC[C@H]2[C@H](OC)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)c2nc(cs2)C(=O)O[C@H](C)[C@H](N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C
CHEMBL241106,ARCHAZOLID A,9.22,CHEMBL612545,3,"Mus musculus, Homo sapiens, None",3,"CHEMBL612267, CHEMBL2047, CHEMBL612545","L929, Unchecked, Bile acid receptor FXR",CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL4101716,None,6.19,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL4089929,None,5.75,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL4082065,None,5.64,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL4071537,None,6.06,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL1288513,None,9.4,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)c1ccc2c(c1)B(O)OC2
CHEMBL1288514,None,9.22,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)c1ccc2c(c1)COB2O
CHEMBL1288515,None,9.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)c1cccc2c1COB2O
CHEMBL1710965,None,5.35,CHEMBL612545,3,"Mus musculus, None",3,"CHEMBL612545, CHEMBL5007","Unchecked, Zinc finger protein GLI1",O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1726132,None,5.65,CHEMBL612545,3,"Mus musculus, None",3,"CHEMBL612545, CHEMBL5007","Unchecked, Zinc finger protein GLI1",O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1725065,None,5.37,CHEMBL612545,3,"Mus musculus, None",3,"CHEMBL612545, CHEMBL5007","Unchecked, Zinc finger protein GLI1",O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1610778,None,5.1,"CHEMBL340,CHEMBL340",3,Homo sapiens,3,"CHEMBL1293227, CHEMBL340","Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2",COC1C[C@@H](O[C@@H]2C(C)C(=O)OC(C)C(C)[C@H](OC(C)=O)C(C)C(=O)[C@@]3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)[C@H]3OC(C)=O)C2C)OC(C)[C@@H]1OC(C)=O
CHEMBL1946558,None,8.05,CHEMBL364,3,"Homo sapiens, Plasmodium falciparum",3,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNc3ccnc4ccc(Cl)cc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL300034,MONACTIN,8.0,CHEMBL3879801,3,"Homo sapiens, None",3,"CHEMBL613503, CHEMBL3879801, CHEMBL614004","NON-PROTEIN TARGET, A2058, A2780",CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
CHEMBL602119,None,10.7,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1704624,None,5.12,CHEMBL5007,3,"Mus musculus, None",3,"CHEMBL612545, CHEMBL5007","Unchecked, Zinc finger protein GLI1",O=C(C[C@H]1C/C=C\C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1
CHEMBL2063084,None,10.1,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1nc3ccccc3cc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL591667,None,10.0,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672591,None,9.74,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCC1)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL492459,CRYPTOPHYCIN 46,6.12,"CHEMBL398,CHEMBL614721,CHEMBL614925",3,Homo sapiens,3,"CHEMBL614721, CHEMBL398, CHEMBL614925","KB, SK-OV-3, LoVo",COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
CHEMBL3235697,None,4.81,CHEMBL2367131,3,"Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense",3,"CHEMBL612348, CHEMBL2367131, CHEMBL368","Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense",CCC(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O[C@@H]1C
CHEMBL506269,CRYPTOPHYCIN 175,7.0,"CHEMBL614721,CHEMBL398,CHEMBL614925",3,Homo sapiens,3,"CHEMBL614721, CHEMBL398, CHEMBL614925","KB, SK-OV-3, LoVo",COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
CHEMBL449844,None,9.7,CHEMBL2095231,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545, CHEMBL2095231","Hepatitis C virus, Unchecked, Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCOC(=O)N4C3)cc(-c3ccccc3)nc2c1
CHEMBL4097663,None,5.34,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOCc2ccc(OC)cc2)C(=O)N1
CHEMBL1256606,None,6.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCCOB3O)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL1256602,None,7.33,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@H]3CCCCOB3O)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL4090107,None,7.8,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CO[C@H]1/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H](OC)[C@H]1C
CHEMBL450002,None,7.16,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,C=CC1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(O)O
CHEMBL3349528,None,8.52,CHEMBL614481,3,"Homo sapiens, None",3,"CHEMBL614481, CHEMBL398, CHEMBL384","HT-29, KB, DA-3 cell line",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
CHEMBL1671868,None,10.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(I)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL452431,CRYPTOPHYCIN 176,8.89,"CHEMBL398,CHEMBL614925,CHEMBL614721",3,Homo sapiens,3,"CHEMBL614721, CHEMBL398, CHEMBL614925","KB, SK-OV-3, LoVo",CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL502895,CRYPTOPHYCIN 16,9.52,"CHEMBL398,CHEMBL614721,CHEMBL614925",3,Homo sapiens,3,"CHEMBL614721, CHEMBL398, CHEMBL614925","KB, SK-OV-3, LoVo",COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
CHEMBL378483,None,6.54,CHEMBL238,3,Homo sapiens,3,"CHEMBL238, CHEMBL222","Dopamine transporter, Norepinephrine transporter",CN1C2CCC1C1COC(=O)CCC3(CCC(=O)Nc4ccc(cc4)C1C2)c1ccccc1-c1ccccc13
CHEMBL4097925,None,8.66,CHEMBL612545,3,None,3,CHEMBL612545,Unchecked,CO[C@H]1[C@H](O[C@@H]2C[C@@H]3C/C=C/C(=O)O[C@H](CO)C[C@H](O)[C@@H]4C[C@H](C)[C@H](C/C=C\C=C\[C@H](C)C[C@H](C2)O3)O4)O[C@@H](C)[C@H](O)[C@H]1O
CHEMBL1256601,None,7.21,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@H]3CCCOB3O)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL1256604,None,4.6,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C[C@@H]1COB[C@@H]1NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2
CHEMBL1256599,None,6.89,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C[C@H]1COB[C@H]1NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2
CHEMBL1672589,None,9.82,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL4083729,None,8.38,CHEMBL3991,3,Homo sapiens,3,"CHEMBL2319, CHEMBL3991, CHEMBL244","Coagulation factor VII, Coagulation factor X, Kallikrein 1",Cc1cc2cc(C)c1CCOC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
CHEMBL1551810,None,4.66,CHEMBL612545,3,"Homo sapiens, None",3,"CHEMBL1075138, CHEMBL612545","Unchecked, Tyrosyl-DNA phosphodiesterase 1",CC(C)(C)[C@@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1
CHEMBL1672598,None,10.4,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(Br)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL123698,None,6.55,CHEMBL387,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL613829, CHEMBL387","NCI/ADR-RES, Unchecked, MCF7",COc1ccc(C[C@H]2NC(=O)/C=C/CC([C@H](C)C3OC3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
CHEMBL602559,None,10.3,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](CCCC)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672605,None,9.12,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(OC(F)(F)F)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL4071740,None,8.4,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CO[C@@H]1CC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C
CHEMBL503228,None,7.8,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,C=CC1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(O)OCC
CHEMBL1672588,None,10.2,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL4092526,None,7.85,CHEMBL1949,3,"Homo sapiens, None",3,"CHEMBL612545, CHEMBL1949","Unchecked, Cyclophilin A",CO[C@@H]1CC/C=C/c2cccc(c2)COC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C
CHEMBL1672606,None,10.4,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672599,None,10.4,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(OC)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL601195,None,9.82,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CN(CC3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL603169,None,10.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672602,None,10.52,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(SC)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672597,None,10.15,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL603168,None,10.4,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL591648,None,8.08,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc3c1CCN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672596,None,10.15,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672590,None,10.0,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL503785,None,8.62,"CHEMBL612545,CHEMBL2095231",3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545, CHEMBL2095231","Hepatitis C virus, Unchecked, Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCOC(=O)N4C3)cc(-c3ccccc3)nc2c1
CHEMBL527062,None,7.62,CHEMBL379,3,Hepatitis C virus,3,CHEMBL379,Hepatitis C virus,C=CC1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(C)(=O)O
CHEMBL591668,None,9.85,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1cccc(c1)CN(C)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL600076,None,8.8,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCC/C=C/c1ccccc1CN(C)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1672603,None,9.6,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(C(F)(F)F)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1256600,None,6.96,CHEMBL612545,3,"Hepatitis C virus, None",3,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@@H]3BOC[C@@H]3C3CC3)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL347589,None,7.93,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/C(C)=O)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL275251,None,6.37,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCOCC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL3220758,None,6.34,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)Nc2cccnc2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL3220759,None,6.26,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)Nc2ccncc2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL503397,CYANOPEPTOLIN 954,7.4,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1C
CHEMBL258219,NOSTOPEPTIN BN920,7.51,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL1802297,KABIRAMIDE J,7.7,CHEMBL387,2,"Plasmodium falciparum K1, Homo sapiens",2,"CHEMBL387, CHEMBL612856","Plasmodium falciparum (isolate K1 / Thailand), MCF7",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O
CHEMBL429949,None,8.28,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL1802298,KABIRAMIDE K,7.16,CHEMBL387,2,"Plasmodium falciparum K1, Homo sapiens",2,"CHEMBL387, CHEMBL612856","Plasmodium falciparum (isolate K1 / Thailand), MCF7",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O
CHEMBL267568,None,8.1,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CC(C)OC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL268489,None,7.85,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)C2CCOC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL416337,None,5.91,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCN(C)C2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL2207333,None,5.92,CHEMBL385,2,Homo sapiens,2,"CHEMBL392, CHEMBL385","K562, A549",C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C
CHEMBL1939386,EXCOECARIPHENOL D,5.16,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1[C@@]5(C[C@]6(O)OC[C@@H](O)[C@@H]6O[C@@H]5C(O)(O)C(O)(O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1
CHEMBL12666,None,6.95,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCCC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL3314703,None,5.3,CHEMBL613107,2,Homo sapiens,2,CHEMBL613107,PBMC,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(=O)c1ccoc1)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL3234201,None,9.33,CHEMBL1783,2,Homo sapiens,2,"CHEMBL394, CHEMBL1783","Vascular endothelial growth factor A, HCT-116",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)C(C)(C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL1946399,None,6.53,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL405104,None,9.23,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC(C)C)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL3735456,None,6.71,CHEMBL1865,2,Homo sapiens,2,"CHEMBL3192, CHEMBL1865","Histone deacetylase 6, Histone deacetylase 8",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL273466,None,8.67,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCOC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL3581987,None,5.11,CHEMBL612794,2,Homo sapiens,2,"CHEMBL612794, CHEMBL385","K562, U-937",CCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(=O)C(C)(C)C)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/[C@H](C)[C@]1(O)O2)O4)O3
CHEMBL12589,None,6.66,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCNC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL1641858,LAGUNAMIDE B,7.69,CHEMBL389,2,"Mus musculus, Plasmodium falciparum",2,"CHEMBL364, CHEMBL389","Plasmodium falciparum, P388",C/C=C(\C)[C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
CHEMBL349585,None,7.47,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/C=O)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL12204,None,7.29,CHEMBL1855,2,Homo sapiens,2,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCOC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL407550,None,6.52,CHEMBL4445,2,Homo sapiens,2,"CHEMBL4445, CHEMBL1902","Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)c2ncoc2C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)C(O)CC1=O
CHEMBL1641857,LAGUNAMIDE A,8.19,CHEMBL389,2,"Mus musculus, Plasmodium falciparum",2,"CHEMBL364, CHEMBL389","Plasmodium falciparum, P388",CC[C@H](C)[C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
CHEMBL170655,None,8.26,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C=CCO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)C[C@H]1O
CHEMBL170544,None,9.17,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C=CCO[C@@H]1C[C@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)CC[C@H]1O
CHEMBL161068,None,6.67,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/CO)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL51516,None,8.4,CHEMBL1902,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL52035,None,9.89,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(N)=O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2159136,None,6.16,CHEMBL340,2,Homo sapiens,2,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N/c2ccc(OC)cc2)N3C)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL275521,None,6.92,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCOC2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL430312,None,7.74,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CCC1CN(C(=O)O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@H](N(C)C(C)C)[C@H]3O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCc4ccc(Cl)cc4)C(=O)O[C@]3(C)[C@@H](CC)OC(=O)[C@@H]2C)C(=O)O1
CHEMBL256304,MICROPEPTIN SD944,5.07,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL176774,None,8.11,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ccco4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL412634,None,8.2,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1COC(=O)N1C(=O)O[C@H]1[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@@H]1C
CHEMBL273536,None,8.05,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OCC2(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL428008,None,7.3,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)C2CCCC2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL404063,MICROPEPTIN SD999,5.4,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(=O)c2ccccc2N)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL348122,None,7.06,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CCOC(=O)/C=C/C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1417268,None,5.7,CHEMBL2903,2,Homo sapiens,2,"CHEMBL4159, CHEMBL2903","Arachidonate 15-lipoxygenase, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein",C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]3O)/C=C\C=C/C=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H]1C)O2
CHEMBL161316,None,5.75,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CCC/C=C\C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL299146,None,9.04,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CCOC(=O)CO[C@@H]1CCC(/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC
CHEMBL506814,PUNICALAGIN,6.39,CHEMBL4822,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL4241, CHEMBL4822","Beta-secretase 1, Squalene monooxygenase",O=C1O[C@@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3-c3c1cc(O)c(O)c3O)[C@H](O)O[C@@H]1COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]21
CHEMBL1159467,E181,4.8,CHEMBL2093867,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL2093867","Unchecked, Protein kinase C (PKC)",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(Oc5c(C(=O)O)cc(O)c(O)c5O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O)C2(O)O3
CHEMBL1159554,None,4.85,"CHEMBL378,CHEMBL378",2,Human immunodeficiency virus 1,2,CHEMBL378,Human immunodeficiency virus 1,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]3[C@@H]2OC(=O)[C@@]24CC(=O)[C@@](O)(O[C@@]25C(=O)O[C@H]2C(O)CO[C@@]25O)C2(O)Oc5c(O)c(O)cc(c5C24)C(=O)C[C@@H]13)c1cc(O)c(O)c(O)c1
CHEMBL2062540,STIGONEMAPEPTIN,6.58,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C/C=C1/NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C=O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL3220754,None,6.83,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N(C)C2CCCCC2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL3220762,None,6.48,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N2CCOCC2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL1077010,MOLASSAMIDE,7.5,CHEMBL3517,2,"Bos taurus, Sus scrofa",2,"CHEMBL3517, CHEMBL3314","Elastase 1, Alpha-chymotrypsin",C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL368142,None,8.44,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OCc4ccco4)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL435906,None,8.49,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OCc4ccsc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL268491,None,6.85,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL366353,None,8.36,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ccsc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL422171,None,7.0,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CC/C=C\C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL369579,None,8.07,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C/C=C/CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)C[C@H]1O
CHEMBL366891,None,8.68,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C/C=C/CO[C@@H]1C[C@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)CC[C@H]1O
CHEMBL73289,None,8.13,"CHEMBL614309,CHEMBL614309",2,None,2,CHEMBL614309,T-cells,C=CCO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC
CHEMBL174029,None,8.18,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C=CC(C)O[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)C[C@H]1O
CHEMBL355620,None,9.14,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",C=CC(C)O[C@@H]1C[C@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)CC[C@H]1O
CHEMBL162354,None,5.45,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CCCCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3594369,None,5.0,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HeLa, HT-29",CC(=O)OC1CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)OC(C(C)(C)C)CC(O)CCC1
CHEMBL3823909,None,9.7,CHEMBL379,2,Hepatitis C virus,2,CHEMBL379,Hepatitis C virus,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCCCCCO7)n5)cc4)cc3c2)[nH]1)C(C)C
CHEMBL3220757,None,6.48,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N(C)c2ccccn2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL3220753,None,6.47,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)NC2CCCCC2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL1802296,KABIRAMIDE G,7.7,CHEMBL387,2,"Homo sapiens, None",2,"CHEMBL612558, CHEMBL387","MCF7, ADMET",CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O
CHEMBL3734946,None,6.61,CHEMBL1865,2,Homo sapiens,2,"CHEMBL3192, CHEMBL1865","Histone deacetylase 6, Histone deacetylase 8",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccccc3-c3cn(CCCCCC(=O)NO)nn3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL439899,None,8.55,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4cccs4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL433606,None,8.96,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OCc4cccs4)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL3220751,None,6.69,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CCN(CC)C(=O)/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O1
CHEMBL398305,BEAUVERICIN G3,4.79,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL251461,BEAUVERICIN H1,5.5,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL1078911,None,6.16,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL12265,None,5.6,CHEMBL3066,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL1076831,None,6.22,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL204, CHEMBL612545","Unchecked, Thrombin",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O
CHEMBL4093747,None,8.55,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CCCCCCCC(=O)OC[C@@H]1C[C@H](O)[C@@H]2C[C@H](C)[C@H](C/C=C\C=C\[C@H](C)C[C@@H]3C[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC)C[C@H](C/C=C/C(=O)O1)O3)O2
CHEMBL2029590,None,7.89,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3cc(Cl)ccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1305053,None,5.1,CHEMBL1293303,2,"Schistosoma mansoni, Influenza A virus",2,"CHEMBL6110, CHEMBL1293303","Thioredoxin glutathione reductase, Nonstructural protein 1",CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL584550,None,7.28,"CHEMBL5306,CHEMBL5306",2,Oryctolagus cuniculus,2,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1077073,SARCANDROLIDE C,5.33,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL383","HL-60, A549",COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)[C@@H](OC(C)=O)CC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL119201,None,6.52,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)c3cccc(c3)/C=C/COC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]3C[C@]2(O)C(C)(C)C1=C3C
CHEMBL2324847,None,10.0,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl
CHEMBL2324848,None,9.51,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl
CHEMBL1773902,COCOSAMIDE B,4.96,CHEMBL384,2,Homo sapiens,2,"CHEMBL384, CHEMBL387","HT-29, MCF7",C#CCCC[C@@H]1OC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
CHEMBL1773901,COCOSAMIDE A,4.62,CHEMBL384,2,Homo sapiens,2,"CHEMBL384, CHEMBL387","HT-29, MCF7",C=CCCC[C@@H]1OC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
CHEMBL365528,CETHROMYCIN,7.4,CHEMBL347,2,Streptococcus pneumoniae,2,CHEMBL347,Streptococcus pneumoniae,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C
CHEMBL3220747,None,6.3,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CNC(=O)/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O1
CHEMBL330975,None,4.89,CHEMBL398,2,Homo sapiens,2,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CCCCCCCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL1078918,MICROPEPTIN 478-B,5.62,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(C)(=O)=O)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL1078917,MICROPEPTIN 478-A,6.16,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(C)(=O)=O)[C@@H](C)OC1=O
CHEMBL583299,None,7.62,CHEMBL612558,2,"Homo sapiens, None",2,"CHEMBL240, CHEMBL612558","HERG, ADMET",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5cccnc45)C3)C(=O)O[C@]12C
CHEMBL1078915,None,5.96,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](O)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](OC)N1C2=O
CHEMBL1076839,CYANOPEPTOLIN SS,5.54,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL204, CHEMBL612545","Unchecked, Thrombin",CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL3736170,None,7.12,CHEMBL1865,2,Homo sapiens,2,"CHEMBL3192, CHEMBL1865","Histone deacetylase 6, Histone deacetylase 8",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccccc3-c3cn(CCCCCCC(=O)NO)nn3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL415914,None,6.05,CHEMBL1293231,2,Mus musculus,2,CHEMBL1293231,Nuclear receptor ROR-gamma,C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
CHEMBL529349,None,6.19,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC1CC2CCC(O2)C(C)C(=O)O[C@H](C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O[C@H](C)CC2CCC(O2)C(C)C(=O)O1
CHEMBL45141,None,8.73,CHEMBL5306,2,Oryctolagus cuniculus,2,"CHEMBL5306, CHEMBL374","Oryctolagus cuniculus, Motilin receptor",CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2CC(N(C)C(C)C)CC(C)O2)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL2159134,None,5.96,CHEMBL340,2,Homo sapiens,2,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\C(C)C)N3C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL524666,None,4.92,CHEMBL378,2,Human immunodeficiency virus 1,2,CHEMBL378,Human immunodeficiency virus 1,O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)C2(O)O3
CHEMBL3314701,None,4.48,CHEMBL613107,2,Homo sapiens,2,CHEMBL613107,PBMC,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL2324839,None,9.36,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C=CCOC(=O)CCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL263178,None,6.16,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)C[C@@H](C)CC/C=C/COC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]3CC2(O)C(C)(C)C1=C3C
CHEMBL334627,None,7.0,CHEMBL347,2,Streptococcus pneumoniae,2,CHEMBL347,Streptococcus pneumoniae,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cnc3cccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C
CHEMBL435997,None,7.1,CHEMBL347,2,Streptococcus pneumoniae,2,CHEMBL347,Streptococcus pneumoniae,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccc3nccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C
CHEMBL3581527,None,8.8,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL299, CHEMBL3879801","Protein kinase C alpha, NON-PROTEIN TARGET",COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C)[C@H](O)C[C@@H]3C[C@@H]4CC(=O)O[C@@]4(O3)C(=O)C(C)(C)/C=C/[C@@H](C1)O2
CHEMBL434987,None,5.02,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)C[C@@H](C)CCCCCOC(=O)N[C@@H](CC(C)C)[C@@H](O)C(=O)O[C@H]3CC2(O)C(C)(C)C1=C3C
CHEMBL1078916,None,6.05,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O
CHEMBL583091,None,8.25,CHEMBL612558,2,"Homo sapiens, None",2,"CHEMBL240, CHEMBL612558","HERG, ADMET",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5ncccc45)C3)C(=O)O[C@]12C
CHEMBL2022561,APRATOXIN S1,7.68,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,COc1ccc(C[C@@H]2NC(=O)/C(C)=C/[C@H]3CSC(=N3)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
CHEMBL251462,BEAUVERICIN H2,5.5,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL2041572,None,6.37,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNCc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL584551,None,6.18,"CHEMBL5306,CHEMBL5306",2,Oryctolagus cuniculus,2,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL251459,BEAUVERICIN G1,5.42,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL3220750,None,6.44,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",C=CCNC(=O)/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O1
CHEMBL3220749,None,6.42,CHEMBL1949,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)NC(C)C)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL2207326,None,10.92,CHEMBL385,2,Homo sapiens,2,"CHEMBL385, CHEMBL387","MCF7, K562",C/C=C(\C)[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C)C(=O)O1
CHEMBL2022562,APRATOXIN S2,9.49,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,COc1ccc(C[C@@H]2NC(=O)/C(C)=C/[C@H]3CSC(=N3)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
CHEMBL2022566,APRATOXIN S6,9.41,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL3234202,None,9.92,CHEMBL1783,2,Homo sapiens,2,"CHEMBL394, CHEMBL1783","Vascular endothelial growth factor A, HCT-116",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL2022565,APRATOXIN S5,6.95,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL2022560,APRATOXIN F,9.34,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL421507,None,6.5,CHEMBL1902,2,Homo sapiens,2,"CHEMBL4445, CHEMBL1902","Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform, FK506-binding protein 1A",C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)CC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O
CHEMBL2041383,None,7.08,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CNc2ccnc3cc(Cl)ccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041384,None,6.09,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CNc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041571,None,6.51,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCN(C)Cc2cnc3ccccc3c2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL399265,BEAUVERICIN H3,5.5,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C1=O
CHEMBL2159131,None,6.16,CHEMBL340,2,Homo sapiens,2,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\CCCN(C)C)N3C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041573,None,6.54,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNCc2cnc3ccccc3c2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL70822,None,9.15,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029595,None,7.26,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2062149,None,8.74,CHEMBL375,2,"Mus musculus, Homo sapiens",2,"CHEMBL1902, CHEMBL375","Mus musculus, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL602989,None,6.79,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CCC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
CHEMBL1778052,None,7.77,CHEMBL5306,2,"Oryctolagus cuniculus, Homo sapiens",2,"CHEMBL240, CHEMBL5306","Motilin receptor, HERG",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2047341,None,5.85,CHEMBL612790,2,"Leishmania chagasi, Trypanosoma cruzi",2,"CHEMBL368, CHEMBL612790","Leishmania chagasi, Trypanosoma cruzi",CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL398304,BEAUVERICIN G2,5.12,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL325279,None,5.72,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)c3cccc(c3)/C=C/CCOC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]3C[C@]2(O)C(C)(C)C1=C3C
CHEMBL431090,None,5.13,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H]2OC(=O)c3cccc(c3)CCCCOC(=O)N[C@@H](CC(C)C)[C@@H](O)C(=O)O[C@H]3C[C@]2(O)C(C)(C)C1=C3C
CHEMBL334163,None,7.0,CHEMBL614697,2,Homo sapiens,2,CHEMBL614697,MDA-MB-435,CC[C@]1(OC(C)=O)[C@H](O)C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H]4CC(O)([C@@H](OC(=O)c5cccc(c5)CCCOC(=O)N[C@@H](CC(C)C)[C@@H](O)C(=O)O4)[C@@H]21)C3(C)C
CHEMBL3220748,None,6.46,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N(C)C)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL583093,None,8.28,CHEMBL612558,2,"Homo sapiens, None",2,"CHEMBL240, CHEMBL612558","HERG, ADMET",CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN([C@H](C)c4ccnc5ncccc45)C3)C(=O)O[C@]12C
CHEMBL3234200,None,9.52,CHEMBL1783,2,Homo sapiens,2,"CHEMBL394, CHEMBL1783","Vascular endothelial growth factor A, HCT-116",CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)CC2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL139966,None,7.66,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)/C=C/C1=O)[C@H](C)C[C@@H]2OC
CHEMBL68027,None,9.7,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",C=CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL367449,None,9.14,CHEMBL372,2,Homo sapiens,2,CHEMBL372,Homo sapiens,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC)[C@H](O)C3O)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL172542,None,9.77,CHEMBL372,2,Homo sapiens,2,CHEMBL372,Homo sapiens,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3C[C@@H](O)[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL71849,None,8.27,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL437064,None,8.68,CHEMBL1902,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(=O)Oc3ccccc3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL350884,None,6.64,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CCOC(=O)/C(C)=C/C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL406966,None,7.03,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)C1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)N2CCC3(CCCN3C(=O)C(C)C)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL3143745,None,7.05,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)C(C)N2CCC3(CCCN3C(=O)C(C)C)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)C(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL409497,None,8.34,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)C1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)N2CCC3(CCCN3C(=O)OC(C)(C)C)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL1823869,GRASSYPEPTOLIDE E,6.72,CHEMBL399,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL399","HeLa, NON-PROTEIN TARGET",CC[C@H]1NC(=O)[C@@]2(C)CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2
CHEMBL1823868,GRASSYPEPTOLIDE D,6.47,CHEMBL399,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL399","HeLa, NON-PROTEIN TARGET",CC[C@H]1NC(=O)[C@@]2(C)CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2
CHEMBL3143746,None,8.06,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)C(C)N2CCC3(CCCN3C(=O)OC(C)(C)C)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)C(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL404971,APLIDINE,9.74,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2CC(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL1240974,None,6.22,CHEMBL614647,2,Homo sapiens,2,"CHEMBL1250378, CHEMBL614647","Splicing factor 3B subunit 3, WiDr",CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCCC[C@H](NC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)C(=O)N(C)CCN(C)C(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)CC[C@@H]1C
CHEMBL412190,APLYRONINE A,9.54,CHEMBL3879801,2,None,2,"CHEMBL612545, CHEMBL3879801","Unchecked, NON-PROTEIN TARGET",COCC(C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)C(C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C
CHEMBL3581385,None,4.72,CHEMBL383,2,Homo sapiens,2,"CHEMBL399, CHEMBL383","HL-60, HeLa",CC(=O)O[C@@H](CCCC[C@@H](O)CC(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
CHEMBL409387,MARINOSTATIN,8.82,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@H](COC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
CHEMBL2314996,None,5.82,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2314997,None,7.05,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2315002,None,5.68,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4080332,None,7.15,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c2c(c1=O)N[C@H]([C@@H]1NC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC(=O)CN3C(=O)[C@@H](C(C)C)NC1=O)COC2=O
CHEMBL4094032,None,9.87,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CCl)c(N)c1=O
CHEMBL216844,None,7.98,CHEMBL614309,2,None,2,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4095348,None,7.95,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N2CCN(Cc3ccccn3)CC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL264789,None,9.47,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)NCCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL410716,None,7.03,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",C=C(C)C(=O)N1CCCC12CCN([C@@H](CC(C)C)C(=O)N[C@H]1C(=O)NC([C@@H](C)CC)[C@H](O)CC(=O)O[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)[C@H](Cc3ccc(O)cc3)C(=O)O[C@H]1C)C2=O
CHEMBL404972,DEHYDROTAMANDARIN A,9.33,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)C1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL262134,TAMANDARIN A,9.02,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)C1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)[C@H](C)OC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL2314755,None,6.46,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2314756,None,6.16,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1946398,None,7.32,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2314757,None,6.26,CHEMBL2034,2,Homo sapiens,2,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029596,None,7.58,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CCOc1ccc2ccccc2c1CNCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL386482,None,8.59,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nccn4Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL274088,None,7.03,"CHEMBL392,CHEMBL384",2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)C1NC(=O)[C@H](NC(=O)[C@H](CC(C)C)N2CCC3(CCCN3C(=O)C(C)=O)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL262778,None,9.4,CHEMBL1902,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)N(C)CCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029763,None,7.24,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3099817,None,6.76,CHEMBL614657,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL395, CHEMBL614657","HepG2, C6",CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)(C)O)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O
CHEMBL2041386,None,6.87,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CCCNc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3143744,None,8.07,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL384","HT-29, A549",CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)C(C)N2CCC3(CCCN3C(=O)C(C)=O)C2=O)[C@H](C)OC(=O)[C@@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)C(=O)[C@@H](C(C)C)OC(=O)C[C@H]1O
CHEMBL385686,None,9.24,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(N5CCOCC5)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL403896,None,8.0,CHEMBL248,2,"Homo sapiens, Sus scrofa",2,"CHEMBL2096984, CHEMBL248","Leukocyte elastase, Pancreatic elastase",CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@H](C(=O)O)CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3
CHEMBL4099462,None,9.33,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL4073368,None,8.56,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL4098358,None,7.29,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CO)c(N)c1=O
CHEMBL439714,None,10.15,CHEMBL389,2,Mus musculus,2,CHEMBL389,P388,Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL429524,None,4.62,"CHEMBL374,CHEMBL612545",2,"Oryctolagus cuniculus, None",2,"CHEMBL612545, CHEMBL374","Oryctolagus cuniculus, Unchecked",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CCCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3218641,None,6.16,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CCCC[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL3221540,None,4.74,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3222010,None,4.35,CHEMBL398,2,"Homo sapiens, None",2,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL243070,None,5.36,CHEMBL365,2,"Candida albicans, Cryptococcus neoformans",2,"CHEMBL365, CHEMBL366","Candida albicans, Filobasidiella neoformans",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)C(C)=O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3220961,None,4.56,CHEMBL398,2,"Homo sapiens, None",2,"CHEMBL398, CHEMBL3879801","NON-PROTEIN TARGET, KB",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(=O)N(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3217815,None,4.79,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(=O)N(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL452871,KAHALALIDE R,6.85,CHEMBL387,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL387","MCF7, NON-PROTEIN TARGET",C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCC(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)C(C(C)C)NC1=O
CHEMBL3815164,None,6.3,CHEMBL2047,2,Homo sapiens,2,"CHEMBL395, CHEMBL2047","HepG2, Bile acid receptor FXR",CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(=O)O[C@@H]1C
CHEMBL3814608,None,5.3,CHEMBL2047,2,Homo sapiens,2,"CHEMBL395, CHEMBL2047","HepG2, Bile acid receptor FXR",CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(=O)O[C@@H]1C)C(C)(C)C
CHEMBL3218945,None,4.76,CHEMBL398,2,"Homo sapiens, None",2,"CHEMBL398, CHEMBL3879801","KB, NON-PROTEIN TARGET",C=CCO/N=C1\[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCC=C)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@H]1C
CHEMBL3218944,None,5.46,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL398, CHEMBL3879801","KB, NON-PROTEIN TARGET",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCOCCOC)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3218946,None,4.51,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CCCCCO/N=C1\[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCCCCC)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@H]1C
CHEMBL1078914,None,5.28,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CO)OS(=O)(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL2369548,None,6.3,CHEMBL4830,2,Mus musculus,2,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](Cc5ccc(O)cc5)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL267466,None,8.49,CHEMBL389,2,Mus musculus,2,CHEMBL389,P388,Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
CHEMBL504492,None,5.29,CHEMBL4607,2,Homo sapiens,2,"CHEMBL4607, CHEMBL3721","Angiotensin II type 2 (AT-2) receptor, Cytochrome P450 2C8",CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(OC)c(-c3nc(C(=O)NCCCN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL405286,None,8.82,CHEMBL354,2,Escherichia coli,2,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCNC(=O)CCC3=CC4=Cc5c(C)cc(C)n5[B-](F)(F)[N+]4=C3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](NC(=O)OCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3326015,None,6.3,CHEMBL387,2,Homo sapiens,2,CHEMBL387,MCF7,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)CCCSSCCCC(=O)O[C@H]1[C@@H](C)CCC[C@H]2O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
CHEMBL2074898,None,7.22,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@@H]2C(=O)N(C)[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C
CHEMBL3593363,None,4.75,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HeLa, HT-29",CC(=O)OC1CCCC(OC(C)=O)CCCC(OC(C)=O)CCCC(OC(C)=O)CCC[C@@H](OC(C)=O)C[C@@H](OC(C)=O)CCC/C(C)=C\C(=O)OC(C(C)(C)C)CC(OC(C)=O)CCCC(OC(C)=O)CCCC(OC(C)=O)CCC1
CHEMBL602573,None,7.68,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)N[C@@H](C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)N[C@H](C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O
CHEMBL385161,None,8.29,"CHEMBL389,CHEMBL389",2,Mus musculus,2,CHEMBL389,P388,Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
CHEMBL406071,None,8.96,CHEMBL389,2,Mus musculus,2,CHEMBL389,P388,Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL386534,None,5.4,"CHEMBL374,CHEMBL612545",2,"Oryctolagus cuniculus, None",2,"CHEMBL612545, CHEMBL374","Oryctolagus cuniculus, Unchecked",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL504492,None,5.29,CHEMBL4607,2,Homo sapiens,2,"CHEMBL4607, CHEMBL3721","Angiotensin II type 2 (AT-2) receptor, Cytochrome P450 2C8",CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(OC)c(-c3nc(C(=O)NCCCN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL3326016,None,4.4,CHEMBL387,2,Homo sapiens,2,CHEMBL387,MCF7,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)CCCCCCCCC(=O)O[C@H]1[C@@H](C)CCC[C@H]2O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
CHEMBL442301,None,10.05,CHEMBL389,2,Mus musculus,2,CHEMBL389,P388,Cc1nc2c(C(=O)N[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]3C)c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H](C(C)C)C(=O)N6CCC[C@@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)c(N)c(=O)c(C)c-4oc3c(C)c2o1
CHEMBL4073381,None,9.8,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3[C@@H](C)CC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL264787,None,5.35,"CHEMBL374,CHEMBL612545",2,"Oryctolagus cuniculus, None",2,"CHEMBL612545, CHEMBL374","Oryctolagus cuniculus, Unchecked",CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL2372386,None,7.51,CHEMBL386,2,Mus musculus,2,CHEMBL386,L1210,Cc1c2oc3c(C)c(OC[C@H]4CO4)cc(C(=O)N[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
CHEMBL251673,PAPUAMIDE A,7.14,CHEMBL378,2,"Homo sapiens, Human immunodeficiency virus 1",2,"CHEMBL378, CHEMBL394","HCT-116, Human immunodeficiency virus 1",CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@@H](C)N)[C@@H](C)O
CHEMBL266912,None,10.05,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)N(C)Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2062135,None,8.3,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)C2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5CCO)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4070911,None,7.9,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N2CC(O)C2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL432484,None,10.0,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4cccnc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL295372,None,9.8,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccncc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL281297,None,8.2,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL1946561,None,7.03,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)CCCNc3ccnc4cc(Cl)ccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029746,None,7.3,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cnc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029743,None,7.21,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccc3ccccc3n2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029753,None,6.79,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)NCCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029585,None,7.29,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL263730,None,4.15,CHEMBL2146298,2,Caenorhabditis elegans,2,CHEMBL2146298,Protein skinhead-1,CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C
CHEMBL448661,SALINAMIDE A,6.3,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)C(C)C)[C@H](C)OC(=O)[C@H]2COC(=O)CNC(=O)/C=C/[C@@]3(CO3)[C@H](C)Oc3ccc(cc3)[C@H](NC1=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N2
CHEMBL267201,MICROPEPTIN SD1002,5.5,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL2207328,None,8.74,CHEMBL385,2,Homo sapiens,2,"CHEMBL385, CHEMBL387","MCF7, K562",C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OC(=O)c2ccccc2)[C@@H]1C
CHEMBL411841,None,9.26,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(Cl)c(Cl)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL419817,None,9.7,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5C)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL303180,None,8.55,CHEMBL1902,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)[C@@H](O)[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5C)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL299549,None,10.15,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(Cl)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL263776,None,10.3,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccccn4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2385895,None,4.77,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CO[C@@H]1CC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](O)Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N12
CHEMBL2062134,None,8.09,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)C2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5CC)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL431360,None,9.7,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5[nH]ccc5c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL395845,None,6.85,CHEMBL612545,2,"Mus musculus, None",2,"CHEMBL612267, CHEMBL612545","L929, Unchecked",CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL412564,None,8.72,CHEMBL394,2,Homo sapiens,2,"CHEMBL614004, CHEMBL394","HCT-116, A2780",CC(=O)O[C@H]1[C@@H]2CO[C@@H]2[C@@H]2OCOCCOC(=O)O[C@H]3C(=O)[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@]1(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)C(C)=C3C1(C)C
CHEMBL395846,None,6.6,CHEMBL612545,2,"Mus musculus, None",2,"CHEMBL612267, CHEMBL612545","L929, Unchecked",CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL2385896,None,4.31,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2C=CC[C@H](NC1=O)C2=O
CHEMBL255705,CYANOPEPTOLIN 963A,6.05,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL255437,MICROPEPTIN SD979,5.62,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL2385897,None,5.37,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL3220752,None,6.51,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)N(CC(C)C)CC(C)C)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL276217,None,6.56,CHEMBL1855,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3066, CHEMBL1855",Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@H]2CC(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL563769,MICROPEPTIN A,7.16,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL4067946,None,7.96,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(=O)N4CCN(C)CC4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029589,None,7.66,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3cc(Cl)ccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029589,None,7.66,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3cc(Cl)ccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029352,None,7.05,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029593,None,6.97,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL48841,None,9.8,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4cccc(F)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL51424,None,9.54,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL52055,None,9.85,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(O)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL385568,None,8.68,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCOCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL296160,None,8.12,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCCC3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)OCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL51523,None,9.1,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)NCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL295945,None,10.7,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(C)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL299136,None,9.59,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)N(C)c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL266263,None,10.4,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(OC)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4094558,None,7.84,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)NCCc2ccccn2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL2372211,lyngbyastatin 3,7.5,CHEMBL398,2,Homo sapiens,2,"CHEMBL614721, CHEMBL398","KB, LoVo",CCC[C@H]1NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H]([C@H](C)CC)OC(=O)[C@H]1C
CHEMBL1711969,None,4.53,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CCC[C@H]1NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)C(C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C
CHEMBL2029760,None,7.1,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Cc2ccc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029755,None,7.02,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)N[C@H](C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029755,None,7.02,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)N[C@H](C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2041382,None,7.17,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OCCCNC(=O)CNc2ccnc3ccccc23)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3220755,None,6.68,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL1949","NON-PROTEIN TARGET, Cyclophilin A",CC(=O)CC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCCC(N2)C(=O)O[C@H](/C(C)=C/C=C/C(=O)Nc2ccc(-c3ccccc3)cc2)C/C=C/C=C/[C@H](O)[C@H](C)[C@H]1O
CHEMBL398725,LYNGBYASTATIN 5,8.49,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C/C=C1\NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](O)CO)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL428499,None,9.1,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5ccccc5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL406510,None,8.72,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4cccc([N+](=O)[O-])c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2062133,None,8.51,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(/C)[C@@H](O)[C@H](C)C[C@H](OC)C2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5C)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262492,None,7.84,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccc(Br)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029754,None,7.1,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)NCc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1240973,None,7.15,CHEMBL614647,2,Homo sapiens,2,"CHEMBL1250378, CHEMBL614647","Splicing factor 3B subunit 3, WiDr",CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)CC[C@@H]1C
CHEMBL1473145,None,6.0,CHEMBL1293238,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL1293224, CHEMBL1293238","Microtubule-associated protein tau, Inositol monophosphatase 1",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](C(C)C[C@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL140442,None,8.47,CHEMBL1902,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL1902","Unchecked, FK506-binding protein 1A",COC(=O)CC[C@H](CCO)C[C@@H](C)[C@@H]1CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1
CHEMBL4103102,None,7.9,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](/C=C/CCCC(=O)N2CCNCC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL48863,None,9.33,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)NC4CCCCC4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL376906,None,7.52,CHEMBL354,2,Escherichia coli,2,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](NC(=O)CCC2=CC3=Cc4c(C)cc(C)n4[B-](F)(F)[N+]3=C2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4077559,None,7.94,CHEMBL1902,2,Homo sapiens,2,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)NCCN2CCOCC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL274090,None,9.64,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(C(F)(F)F)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL186986,None,8.7,CHEMBL614734,2,Homo sapiens,2,CHEMBL614734,HMEC,CCCC[C@@H](C)C[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C[C@H](C)CCCC)NC(=O)[C@@H](C)OC(=O)[C@H](C)N(C)C1=O
CHEMBL2029594,None,7.6,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029759,None,7.04,CHEMBL364,2,"Homo sapiens, Plasmodium falciparum",2,"CHEMBL395, CHEMBL364","HepG2, Plasmodium falciparum",CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)CCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL256744,MICROPEPTIN 103,6.02,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL204, CHEMBL612545","Unchecked, Thrombin",CCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@@H](C)O
CHEMBL302040,None,8.74,CHEMBL614309,2,"Homo sapiens, None",2,"CHEMBL614309, CHEMBL1902","T-cells, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5ccccc5c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262844,None,9.85,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4cccc(C(F)(F)F)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1076838,CYANOPEPTOLIN S,6.62,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL51334,None,10.52,CHEMBL372,2,Homo sapiens,2,"CHEMBL372, CHEMBL1902","Homo sapiens, FK506-binding protein 1A",CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](OCC(=O)Nc4ccc(F)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1075639,None,5.46,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](O)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL221697,None,6.52,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL613979","NON-PROTEIN TARGET, HUVEC",C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1
CHEMBL290635,None,5.37,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
CHEMBL39858,None,5.64,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
CHEMBL2093007,None,5.48,CHEMBL1937,2,Homo sapiens,2,"CHEMBL325, CHEMBL1937","Histone deacetylase 2, Histone deacetylase 1",C/C=C1\NC(=O)[C@@H](CSC)NC(=O)[C@@H](C(C)C)CC(=O)C[C@@H](/C=C/CCSC)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL221540,None,9.0,CHEMBL613979,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL613979","NON-PROTEIN TARGET, HUVEC",C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1
CHEMBL3092470,None,5.52,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL390, CHEMBL3879801","NON-PROTEIN TARGET, PC-3",CC[C@@H]1/C=C/[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
CHEMBL3092469,None,6.3,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL390, CHEMBL3879801","NON-PROTEIN TARGET, PC-3",CC[C@@H]1/C=C/[C@H](O)[C@H](C)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
CHEMBL3092472,None,5.48,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL390, CHEMBL3879801","NON-PROTEIN TARGET, PC-3",CC[C@@H]1/C=C/[C@H](C(C)O)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
CHEMBL92925,None,10.05,CHEMBL398,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2s1
CHEMBL93904,None,9.34,CHEMBL614590,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",C/C1=C/C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
CHEMBL96115,None,9.89,CHEMBL614590,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O
CHEMBL1173194,None,7.86,CHEMBL325,2,Homo sapiens,2,"CHEMBL3524, CHEMBL325","Histone deacetylase 4, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@H](CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL2381167,None,8.01,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,COc1cccc(CCCC[C@@H]2C[C@@H]3C[C@@]4(O[C@H](CCC4(C)C)CC(=O)O[C@@H](CO)CC(=O)O3)O2)c1
CHEMBL1563795,None,5.2,CHEMBL3622,2,Homo sapiens,2,"CHEMBL1293224, CHEMBL3622","Microtubule-associated protein tau, Cytochrome P450 2C19",CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
CHEMBL40070,None,5.22,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)CC[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL1473901,None,7.55,CHEMBL1293231,2,Mus musculus,2,CHEMBL1293231,Nuclear receptor ROR-gamma,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1
CHEMBL35924,None,5.21,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1
CHEMBL601144,None,7.59,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
CHEMBL290432,None,5.24,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL4071015,None,5.38,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(CCCc2ccccc2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL521387,None,5.0,CHEMBL612589,2,"Mus musculus, Homo sapiens",2,"CHEMBL400, CHEMBL612589","4T1, MDA-MB-231",C/C1=C/[C@@H](C)C[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1
CHEMBL8097,None,5.21,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
CHEMBL582086,None,6.81,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)C(O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL94413,None,9.2,CHEMBL204,2,Homo sapiens,2,"CHEMBL204, CHEMBL209","Trypsin I, Thrombin",O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCCCCOc2ccc(Cl)cc2CN1
CHEMBL2323585,PYRIDOMYCIN,5.32,CHEMBL612545,2,"Mycobacterium tuberculosis, None",2,"CHEMBL612545, CHEMBL1849","Unchecked, Enoyl-[acyl-carrier-protein] reductase",CC/C(C)=C1\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O
CHEMBL576350,None,8.41,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC1=CC(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)C=CC=CC(=O)OCC1)[C@@]3(C)[C@]21CO1
CHEMBL580164,None,8.75,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC1=CC(=O)OC[C@]23C[C@H](O)C(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)C=CC=CC(=O)OCC1)[C@@]3(C)[C@]21CO1
CHEMBL2381164,None,8.16,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4c(Br)cc(Br)c(O)c4Br)O[C@@]1(C3)O2
CHEMBL1081435,BROMOPHYCOLIDE S,6.05,CHEMBL364,2,"Plasmodium falciparum, Enterococcus faecium",2,"CHEMBL364, CHEMBL357","Plasmodium falciparum, Enterococcus faecium",C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12
CHEMBL2381163,None,8.39,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cc(O)c(Br)cc4Br)O[C@@]1(C3)O2
CHEMBL2381162,None,8.46,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cc(O)ccc4Br)O[C@@]1(C3)O2
CHEMBL2381165,None,8.89,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccc(I)c(O)c4)O[C@@]1(C3)O2
CHEMBL2381166,None,8.34,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cc(O)ccc4I)O[C@@]1(C3)O2
CHEMBL1487773,None,5.2,CHEMBL3622,2,"Bacillus subtilis, Homo sapiens",2,"CHEMBL1293248, CHEMBL3622","Cytochrome P450 2C19, 4'-phosphopantetheinyl transferase ffp",CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
CHEMBL3334620,None,7.11,CHEMBL400,2,Homo sapiens,2,"CHEMBL400, CHEMBL387","MCF7, MDA-MB-231",CC(C)[C@@H]1C[C@H](O)[C@H](C)C[C@H](C)C[C@H](C)C(=O)NCC(=O)N(C)[C@H](Cc2ccc(O)c(I)c2)C(=O)O1
CHEMBL269137,HAPALOSIN,5.32,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL2311090,None,5.24,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)CC(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL3260940,None,9.3,CHEMBL392,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL3907376,None,7.7,CHEMBL2095194,2,Homo sapiens,2,"CHEMBL2095194, CHEMBL2319","Coagulation factor VII/tissue factor, Kallikrein 1",Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cccc(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3808801,None,8.89,CHEMBL2095194,2,Homo sapiens,2,"CHEMBL2095194, CHEMBL2319","Coagulation factor VII/tissue factor, Kallikrein 1",CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O
CHEMBL389575,FIJIANOLIDE E,6.16,CHEMBL394,2,Homo sapiens,2,"CHEMBL394, CHEMBL614697","MDA-MB-435, HCT-116",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)OC([C@@H](O)/C=C/[C@@H]3CC(C)=CC(=O)O3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL3126407,None,6.07,CHEMBL399,2,Homo sapiens,2,"CHEMBL614917, CHEMBL399","HeLa, SK-MEL-2",CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1)=C\CN(C)C
CHEMBL154035,None,5.56,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C=C1C[C@H](O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2
CHEMBL422513,None,5.37,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@H](O)C1)O2
CHEMBL155626,None,6.54,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C=C1C[C@H](O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2
CHEMBL347270,None,6.1,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@H](O)C1)O2
CHEMBL244368,FIJIANOLIDE G,5.04,CHEMBL614697,2,Homo sapiens,2,"CHEMBL394, CHEMBL614697","MDA-MB-435, HCT-116",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3C[C@@]4(C)O[C@H]4[C@@H](O)O3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL3260947,None,5.55,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(C=C(C)C)n3)C[C@H](CC(=O)O1)O2
CHEMBL1171465,None,6.79,CHEMBL325,2,Homo sapiens,2,"CHEMBL3524, CHEMBL325","Histone deacetylase 4, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](CC)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL40333,None,5.21,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
CHEMBL1242467,PLADIENOLIDE C,8.3,CHEMBL1250378,2,Homo sapiens,2,CHEMBL1250378,Splicing factor 3B subunit 3,CCC(=O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
CHEMBL1242654,PLADIENOLIDE E,7.23,CHEMBL1250378,2,Homo sapiens,2,CHEMBL1250378,Splicing factor 3B subunit 3,CC[C@H](O)[C@](C)(O)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
CHEMBL4110036,None,7.42,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cc(F)c3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2
CHEMBL4114547,None,8.96,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1cc(C)c(c(C)c1)CCOC(=O)N2
CHEMBL3809993,None,6.81,CHEMBL2319,2,Homo sapiens,2,"CHEMBL2095194, CHEMBL2319","Coagulation factor VII/tissue factor, Kallikrein 1",CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(N)nccc3c2)C1=O
CHEMBL40037,None,5.25,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
CHEMBL3426551,None,8.43,CHEMBL387,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL387","NON-PROTEIN TARGET, MCF7",CO[C@H]1/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1/C(C)=C/c1csc(C)n1
CHEMBL38932,None,5.22,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](OCOC)CC(=O)O1
CHEMBL39969,None,5.23,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
CHEMBL1242841,PLADIENOLIDE A,6.51,CHEMBL1250378,2,Homo sapiens,2,CHEMBL1250378,Splicing factor 3B subunit 3,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](O)CC[C@@H]1C
CHEMBL1242374,PLADIENOLIDE F,5.67,CHEMBL1250378,2,Homo sapiens,2,CHEMBL1250378,Splicing factor 3B subunit 3,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](O)CC[C@@H]1C
CHEMBL3809344,None,7.51,CHEMBL2319,2,Homo sapiens,2,"CHEMBL2095194, CHEMBL2319","Coagulation factor VII/tissue factor, Kallikrein 1",CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2
CHEMBL3809909,None,8.85,CHEMBL2095194,2,Homo sapiens,2,"CHEMBL2095194, CHEMBL2319","Coagulation factor VII/tissue factor, Kallikrein 1",CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2
CHEMBL4108209,None,7.96,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2
CHEMBL400438,None,8.7,"CHEMBL4822,CHEMBL4822",2,Homo sapiens,2,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL328224,None,9.42,CHEMBL398,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",C/C1=C/C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
CHEMBL365169,None,6.37,CHEMBL612558,2,None,2,CHEMBL612558,ADMET,C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C/C=C/[C@@H](O)C1)O2
CHEMBL193919,None,7.3,CHEMBL612558,2,None,2,CHEMBL612558,ADMET,C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL3259831,None,6.36,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",C/C=C\c1nc(CC/C=C\C(=O)O[C@@H]2C[C@H]3/C=C(/C)C[C@H](OC)C[C@H](CCC)OC(=O)C[C@@H](C2)O3)co1
CHEMBL2381161,None,7.44,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC(=O)Nc1ccc(CCCC[C@@H]2C[C@@H]3C[C@@]4(O[C@H](CCC4(C)C)CC(=O)O[C@@H](CO)CC(=O)O3)O2)cc1O
CHEMBL2381160,None,6.16,CHEMBL2996,2,Homo sapiens,2,CHEMBL2996,Protein kinase C delta,CC(=O)Nc1ccc(O)cc1CCCC[C@@H]1C[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O1
CHEMBL95328,None,9.68,CHEMBL614590,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",C/C1=C/C[C@@H](c2ccc3c(c2)nc(C)n3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
CHEMBL328208,None,9.85,CHEMBL614590,2,Homo sapiens,2,"CHEMBL398, CHEMBL614590","KB, KB 3-1",Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2n1C
CHEMBL528543,None,4.54,CHEMBL400,2,"Mus musculus, Homo sapiens",2,"CHEMBL400, CHEMBL612589","4T1, MDA-MB-231",C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1
CHEMBL1088172,None,5.75,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL1087150,None,5.4,CHEMBL5387,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL1553405,None,5.5,CHEMBL289,2,Homo sapiens,2,"CHEMBL289, CHEMBL4801","Cytochrome P450 2D6, Caspase-1",CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@@H]1C
CHEMBL1078955,None,7.51,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C(F)(F)F)OC2=O
CHEMBL1079087,None,5.98,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](C)OC2=O
CHEMBL1079086,None,5.58,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C=C\C[C@@H](C)OC2=O
CHEMBL1080091,None,4.62,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL3334712,None,5.54,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCC/C=C/C(=O)C2
CHEMBL3334714,None,4.95,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",COc1cc(O)cc2c1C(=O)O[C@@H](C)CC[C@@H](O)CC/C=C/C(=O)C2
CHEMBL1097787,AIGIALOMYCIN B,6.19,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O
CHEMBL3828395,None,4.28,CHEMBL391,2,"Homo sapiens, Chlorocebus aethiops",2,"CHEMBL387, CHEMBL391","MCF7, Vero",COc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL1094695,PAECILOMYCIN F,5.96,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)CCC[C@H](C)OC2=O
CHEMBL1094508,PAECILOMYCIN E,7.7,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL313199,None,8.96,CHEMBL321,2,Homo sapiens,2,"CHEMBL321, CHEMBL3706","Matrix metalloproteinase 9, ADAM17",CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL3287006,None,7.11,CHEMBL325,2,Homo sapiens,2,"CHEMBL1829, CHEMBL325","Histone deacetylase 3, Histone deacetylase 1",CC(C)[C@@H]1NC(=O)c2csc(n2)-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
CHEMBL1078698,None,6.87,"CHEMBL614245,CHEMBL612794",2,Homo sapiens,2,"CHEMBL614245, CHEMBL612794","U-937, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1077368,None,5.28,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",CC[C@@H]1C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(OC)cc(O)c2C(=O)O1
CHEMBL1078777,None,7.23,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",CC[C@H]1C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(OC)cc(O)c2C(=O)O1
CHEMBL1435684,None,6.8,"CHEMBL3622,CHEMBL3622",2,Homo sapiens,2,CHEMBL3622,Cytochrome P450 2C19,CO[C@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
CHEMBL1475395,None,5.4,CHEMBL1293224,2,Homo sapiens,2,CHEMBL1293224,Microtubule-associated protein tau,CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
CHEMBL4091852,None,5.34,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(Cc2ccccc2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL1554628,None,5.4,CHEMBL1075138,2,Homo sapiens,2,"CHEMBL1075138, CHEMBL3577","Tyrosyl-DNA phosphodiesterase 1, Aldehyde dehydrogenase 1A1",CO[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C
CHEMBL396004,None,8.3,CHEMBL612545,2,"Mus musculus, None",2,"CHEMBL612267, CHEMBL612545","L929, Unchecked",CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@@H]1C
CHEMBL1946957,FOLATE DIDEMNIN B,8.3,CHEMBL612557,2,Mus musculus,2,CHEMBL612557,RAW264.7,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)C(C)OC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)C(=O)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3928290,None,4.68,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCC/C=C\[C@H](O)/C=C\[C@H](O)/C=C/C(=O)O1
CHEMBL3891809,None,5.41,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCC[C@@H](O)/C=C/C=C\[C@@H](O)/C=C/C(=O)O1
CHEMBL3919867,None,5.92,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCC[C@@H](O)/C=C/C=C\[C@H](O)/C=C/C(=O)O1
CHEMBL3920268,None,6.16,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CO[C@H]1/C=C\CCC[C@H](C)OC(=O)/C=C/[C@@H](O)/C=C\1
CHEMBL1078175,None,7.44,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C(F)=C/OC2=O
CHEMBL1079178,None,5.89,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C(F)=C/OC2=O
CHEMBL1734306,None,5.77,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)/C=C/C(=O)O1
CHEMBL1078776,None,7.16,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\CCOC2=O
CHEMBL3400935,None,6.68,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C/C1=C\CCC(C)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
CHEMBL3400936,None,6.87,"CHEMBL612545,CHEMBL612545",2,None,2,CHEMBL612545,Unchecked,C/C1=C\CCC(C)(O)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
CHEMBL3334713,None,4.86,CHEMBL384,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C[C@H]1CCCCC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1
CHEMBL1554023,None,5.2,"CHEMBL289,CHEMBL289",2,Homo sapiens,2,CHEMBL289,Cytochrome P450 2D6,C[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C1=O
CHEMBL1476850,None,5.4,CHEMBL3622,2,Homo sapiens,2,"CHEMBL289, CHEMBL3622","Cytochrome P450 2D6, Cytochrome P450 2C19",CO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C
CHEMBL1078263,None,6.62,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H](OC)[C@H](C)OC2=O
CHEMBL1076336,None,5.0,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL3827713,None,4.29,CHEMBL398,2,Homo sapiens,2,"CHEMBL398, CHEMBL387","KB, MCF7",CC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL3828162,None,4.87,CHEMBL391,2,"Homo sapiens, Chlorocebus aethiops",2,"CHEMBL398, CHEMBL391","KB, Vero",CC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O
CHEMBL2313363,spiruchostatin D,9.12,CHEMBL325,2,"Mus musculus, Homo sapiens",2,"CHEMBL325, CHEMBL2878","Histone deacetylase 6, Histone deacetylase 1",CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O2
CHEMBL1474497,None,5.5,"CHEMBL3622,CHEMBL3622",2,Homo sapiens,2,CHEMBL3622,Cytochrome P450 2C19,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C
CHEMBL1835659,SPIRUCHOSTATIN C,9.03,CHEMBL325,2,"Mus musculus, Homo sapiens",2,"CHEMBL325, CHEMBL2878","Histone deacetylase 6, Histone deacetylase 1",CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](CC[S+](C)[O-])C(=O)N2)OC(=O)C[C@@H]1O
CHEMBL1079085,None,5.43,CHEMBL614245,2,"Homo sapiens, None",2,"CHEMBL614245, CHEMBL3879801","NON-PROTEIN TARGET, THP-1",COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](c1ccccc1)OC2=O
CHEMBL84809,None,5.96,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N(CCO)CCO)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL523119,WORTMANNILACTONE C,4.28,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(O)CC1CC(O)/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)O1
CHEMBL4081590,None,5.89,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(c2ccccc2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL1592372,None,7.55,CHEMBL1293224,2,Homo sapiens,2,CHEMBL1293224,Microtubule-associated protein tau,CSCC[C@@H]1NC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC1=O
CHEMBL1317714,None,5.1,CHEMBL3622,2,Homo sapiens,2,"CHEMBL1293224, CHEMBL3622","Microtubule-associated protein tau, Cytochrome P450 2C19",CO[C@@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL3218564,None,8.59,CHEMBL325,2,Homo sapiens,2,"CHEMBL1865, CHEMBL325","Histone deacetylase 6, Histone deacetylase 1",CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O2
CHEMBL1081556,None,6.24,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL1079558,None,5.06,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL4092885,None,5.6,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(Cc2ccccc2)CC/C=C/CNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL4089044,None,5.27,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL521613,WORTMANNILACTONE D,4.35,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COC1/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)OC(CC(C)O)C1
CHEMBL235300,None,7.26,CHEMBL387,2,Homo sapiens,2,"CHEMBL2093865, CHEMBL387","MCF7, Histone deacetylase",CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
CHEMBL4081164,None,5.02,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCCNC(=O)CC[C@@H](C=O)NC1=O
CHEMBL3827116,None,4.32,CHEMBL391,2,"Homo sapiens, Chlorocebus aethiops",2,"CHEMBL398, CHEMBL391","KB, Vero",CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
CHEMBL2216826,None,8.28,CHEMBL3587,2,Homo sapiens,2,"CHEMBL3956, CHEMBL3587","Dual specificity mitogen-activated protein kinase kinase 1, Mitogen-activated protein kinase kinase kinase 1",CCNc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C\[C@H](C)[C@H](C)OC2=O
CHEMBL1669762,None,5.56,CHEMBL3507,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL206, CHEMBL3507","Mineralocorticoid receptor, Estrogen receptor alpha",CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@H](C)CCCCCCC2
CHEMBL1669774,None,6.09,CHEMBL3507,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3507, CHEMBL208","Progesterone receptor, Mineralocorticoid receptor",CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCC2
CHEMBL3828524,None,4.21,CHEMBL387,2,Homo sapiens,2,"CHEMBL398, CHEMBL387","KB, MCF7",CCOc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL3828436,None,4.36,CHEMBL391,2,"Homo sapiens, Chlorocebus aethiops",2,"CHEMBL398, CHEMBL391","KB, Vero",CCC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O
CHEMBL1079557,None,5.24,CHEMBL5602,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL1080987,None,4.52,CHEMBL5387,2,"Mus musculus, Homo sapiens",2,"CHEMBL5387, CHEMBL5602",Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL1097699,None,7.15,CHEMBL614245,2,Homo sapiens,2,"CHEMBL614245, CHEMBL3587","Dual specificity mitogen-activated protein kinase kinase 1, THP-1",C[C@@H]1OC(=O)c2c(O)cc(NCCO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1599900,None,5.94,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL3797, CHEMBL612545","Unchecked, Serine-protein kinase ATM",CCC[C@@H]1CCCC/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C
CHEMBL1669776,None,5.54,CHEMBL3507,2,"Homo sapiens, Rattus norvegicus",2,"CHEMBL3507, CHEMBL208","Progesterone receptor, Mineralocorticoid receptor",CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCCC2
CHEMBL3827166,None,4.48,CHEMBL398,2,"Homo sapiens, Chlorocebus aethiops",2,"CHEMBL398, CHEMBL391","KB, Vero",CCC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O
CHEMBL1592717,None,6.6,"CHEMBL4261,CHEMBL4261",2,Homo sapiens,2,CHEMBL4261,Hypoxia-inducible factor 1 alpha,CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)C/C=C\[C@H]1C)O2
CHEMBL1169410,None,4.4,CHEMBL612558,2,None,2,CHEMBL612558,ADMET,C=C1CCC[C@@H]2CCC[C@@H](C/C=C\C(=O)O[C@H](CO)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL1476983,None,6.95,CHEMBL1293224,2,Homo sapiens,2,"CHEMBL1293224, CHEMBL3622","Microtubule-associated protein tau, Cytochrome P450 2C19",CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
CHEMBL1363122,None,5.04,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL3797, CHEMBL612545","Unchecked, Serine-protein kinase ATM",CCC[C@H]1CCCC/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C
CHEMBL3628747,None,6.17,CHEMBL394,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL394","NON-PROTEIN TARGET, HCT-116",CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1
CHEMBL290049,None,5.24,CHEMBL4302,2,Homo sapiens,2,CHEMBL4302,P-glycoprotein 1,CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
CHEMBL421999,None,6.62,CHEMBL614697,2,Homo sapiens,2,"CHEMBL384, CHEMBL614697","HT-29, MDA-MB-435",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL506322,None,7.15,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=CCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2
CHEMBL1076535,PALMYRAMIDE A,4.76,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL396","Unchecked, NCI-H460",CCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)OC(=O)C1(C)C
CHEMBL338024,None,8.12,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL339673,None,7.77,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL126153,None,8.59,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL333369,None,7.66,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL539419,ISARIDIN C2,5.0,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)CC1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C(C)CCN2C1=O
CHEMBL1783106,VERAGUAMIDE B,4.77,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL4113473,None,8.66,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CCN(Cc1nccs1)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1cc(C)c(c(C)c1)C(F)(F)COC(=O)N2
CHEMBL3897709,None,9.52,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CCN(Cc1nccs1)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL1735765,None,5.24,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1
CHEMBL1732831,None,5.72,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C[C@@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1
CHEMBL2324844,None,9.95,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl
CHEMBL2324845,None,7.94,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl
CHEMBL591604,None,8.52,CHEMBL379,2,Hepatitis C virus,2,CHEMBL379,Hepatitis C virus,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL501873,None,7.24,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)CC1CC1
CHEMBL1915708,PALMEROLIDE D,8.7,CHEMBL614610,2,"Homo sapiens, None",2,"CHEMBL614610, CHEMBL612545","UACC-62, Unchecked",C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
CHEMBL125014,None,8.89,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL506689,None,7.18,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC(C)CC
CHEMBL554607,None,5.31,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL387","MCF7, A549",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C(C)C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL279862,None,6.7,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CCCCC1COC(=O)CC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL2407690,None,5.0,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2[C@@H](C)CCN2C1=O
CHEMBL227907,ISARIDIN E,4.91,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)CC1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
CHEMBL125990,None,8.41,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CN(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL1562334,None,5.4,CHEMBL3622,2,Homo sapiens,2,"CHEMBL1963, CHEMBL3622","Thyroid stimulating hormone receptor, Cytochrome P450 2C19",CCCCC[C@@H](O)[C@@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(/C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O
CHEMBL290814,BAFILOMYCIN A1,7.52,CHEMBL2770,2,"Homo sapiens, Gallus gallus",2,"CHEMBL4790, CHEMBL2770","Vacuolar ATP synthase subunit S1, Adenosinetriphosphatase",CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
CHEMBL533772,None,7.95,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H](C(C)C(O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
CHEMBL3903215,None,9.85,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OCCN3CCCC3=O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL2324842,None,10.67,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCN=[N+]=[N-])CNC2=O)cc1Cl
CHEMBL2324843,None,10.26,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCN=[N+]=[N-])CNC2=O)cc1Cl
CHEMBL1720380,None,5.39,CHEMBL3880,2,"Plasmodium falciparum 3D7, Homo sapiens",2,"CHEMBL3880, CHEMBL1795086","HSP90, Heat shock protein HSP 90-alpha",CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)C(C)NC(=O)C(C)C1
CHEMBL86762,None,7.86,CHEMBL382,2,Homo sapiens,2,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2204319,None,9.74,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL263425,None,10.3,"CHEMBL382,CHEMBL382",2,Homo sapiens,2,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL1672604,None,9.96,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(S(C)(=O)=O)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL195655,None,5.08,CHEMBL612558,2,None,2,CHEMBL612558,ADMET,C=C1CC(/C=C/C2CCCCC2)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL333073,None,9.1,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL509769,None,7.08,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC1CC1
CHEMBL599903,None,6.91,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CCCCCCC1CCC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)NCC(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)OC2C)OC1C
CHEMBL1436969,None,4.79,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1
CHEMBL2324837,None,10.02,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C=CCOC(=O)C[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL506565,None,6.75,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NCc1ccccn1
CHEMBL1783471,VERAGUAMIDE E,6.08,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]1C
CHEMBL2047351,BAHAMAOLIDE A,4.97,CHEMBL612545,2,"Candida albicans, None",2,"CHEMBL612545, CHEMBL5359","Unchecked, Isocitrate lyase",CC(C)[C@@H]1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H]1C
CHEMBL2159140,None,6.3,CHEMBL340,2,Homo sapiens,2,CHEMBL340,Cytochrome P450 3A4,CC/N=C1\O[C@H]2[C@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]3(C)O)O[C@H](C)C[C@@H]2N1C
CHEMBL3577228,None,5.4,CHEMBL387,2,Homo sapiens,2,"CHEMBL394, CHEMBL387","MCF7, HCT-116",CCCCCC/C=C\CCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL1365734,None,4.6,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C[C@@H]1CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN1
CHEMBL4092734,None,7.34,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,COC(=O)/C(C)=C1/C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL4097122,None,7.89,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)[C@@H](O)CC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12
CHEMBL2324840,None,9.83,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C=CCOCCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL2324841,None,10.28,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,C=CCOCCC[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL450753,None,6.62,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NCc1ccccc1
CHEMBL1728519,None,6.28,CHEMBL5113,2,Homo sapiens,2,CHEMBL5113,Orexin receptor 1,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N[C@H](C(C)(C)C)COC1=O
CHEMBL1783472,VERAGUAMIDE F,4.31,"CHEMBL384,CHEMBL399",2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL1672595,None,8.7,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](c1c[nH]c3ccccc13)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL602986,None,6.36,CHEMBL364,2,Plasmodium falciparum,2,CHEMBL364,Plasmodium falciparum,CC[C@H](C)C[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(=O)NCC(=O)N3NCCC[C@H]3C(=O)N(O)[C@H](C)C(=O)O[C@H]2C(C)C)O[C@@H]1C
CHEMBL333234,None,7.8,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL2022563,APRATOXIN S3,6.47,CHEMBL394,2,Homo sapiens,2,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL431667,None,8.15,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL1783105,VERAGUAMIDE A,4.68,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",CC[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL1783107,VERAGUAMIDE C,5.24,CHEMBL384,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",C#CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL361977,None,6.97,CHEMBL4822,2,Homo sapiens,2,CHEMBL4822,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL1783473,VERAGUAMIDE G,5.64,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",C=CCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL1783474,TETRAHYDROVERAGUAMIDE A,4.48,CHEMBL384,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",CCCCC[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL3577227,None,5.22,CHEMBL387,2,Homo sapiens,2,"CHEMBL394, CHEMBL387","MCF7, HCT-116",CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCCCC(C)C)OC1=O
CHEMBL3577226,None,5.52,CHEMBL387,2,Homo sapiens,2,"CHEMBL394, CHEMBL387","MCF7, HCT-116",CCCCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL1317549,None,4.8,"CHEMBL340,CHEMBL340",2,Homo sapiens,2,CHEMBL340,Cytochrome P450 3A4,CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O
CHEMBL1672594,None,9.19,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL508998,ALATUSININE,4.34,CHEMBL613107,2,Homo sapiens,2,CHEMBL613107,PBMC,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL2324846,None,9.6,CHEMBL3879801,2,None,2,CHEMBL3879801,NON-PROTEIN TARGET,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCCN=[N+]=[N-])CNC2=O)cc1Cl
CHEMBL504783,None,7.02,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)CC1CC1
CHEMBL510931,None,7.11,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC1CCCC1
CHEMBL1783470,VERAGUAMIDE D,6.27,CHEMBL399,2,Homo sapiens,2,"CHEMBL384, CHEMBL399","HT-29, HeLa",C#CCCC[C@H]1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL331085,None,8.41,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL455095,None,6.85,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC1CCC1
CHEMBL555516,None,6.53,CHEMBL387,2,Homo sapiens,2,"CHEMBL392, CHEMBL387","MCF7, A549",CCc1ccc(C2=N[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c4csc(C)n4)C[C@@H]3O2)cc1
CHEMBL3906646,None,9.82,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC(CF)CF)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3908500,None,9.44,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
CHEMBL3983744,None,9.34,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC[C@H](C)O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3915633,None,9.77,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@H](C)CO)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3977297,None,9.85,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H](C)CO)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3907868,None,8.92,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL1711599,None,4.75,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O
CHEMBL558945,None,7.79,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL387","MCF7, A549",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccccc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL2063083,None,8.72,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1ncccc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2063077,None,8.96,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCC/C=C/c1cccnc1O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1915710,PALMEROLIDE F,7.2,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL614610, CHEMBL612545","UACC-62, Unchecked",C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
CHEMBL1915711,PALMEROLIDE G,8.15,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL614610, CHEMBL612545","UACC-62, Unchecked",CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
CHEMBL1256605,None,5.89,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCOB3O)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL1915491,PORPOISAMIDE B,4.68,CHEMBL394,2,Homo sapiens,2,"CHEMBL615023, CHEMBL394","U2OS, HCT-116",CCCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@@H]1C
CHEMBL1915490,PORPOISAMIDE A,4.6,CHEMBL394,2,Homo sapiens,2,"CHEMBL615023, CHEMBL394","U2OS, HCT-116",CCCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C
CHEMBL3775955,None,6.62,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(=O)OC)C(=O)O[C@H]([C@@H](C)CCCCCCCCCCCC(C)C)[C@@H](C)C(=O)N1
CHEMBL3973659,None,9.55,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](CF)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3901206,None,9.6,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,COc1cc2c(F)cc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
CHEMBL3775644,None,5.71,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(=O)OC)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3922904,None,9.3,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C(F)F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3260942,None,6.7,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL3260941,None,7.58,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL2420603,None,8.68,CHEMBL612545,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL394","Unchecked, HCT-116",CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL2420695,None,8.43,CHEMBL394,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL394","Unchecked, HCT-116",CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL3939509,None,8.64,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL554564,None,9.04,CHEMBL392,2,Homo sapiens,2,"CHEMBL392, CHEMBL387","MCF7, A549",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3cccnc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL3260945,None,8.2,CHEMBL392,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C(/C)CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL3260944,None,8.6,CHEMBL392,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C(C)=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL1256603,None,5.85,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@H]3BOCC3)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1
CHEMBL327710,None,6.21,CHEMBL286,2,Homo sapiens,2,CHEMBL286,Renin,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL2420698,None,7.37,CHEMBL394,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL394","Unchecked, HCT-116",CC[C@H](OC)[C@@H](C)[C@H]1C[C@@H]1[C@@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL3774614,None,6.0,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)O[C@H]([C@@H](C)CCCCCCCCCCCC(C)C)[C@@H](C)C(=O)N1
CHEMBL3961226,None,9.77,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
CHEMBL3917941,None,9.18,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
CHEMBL4106751,None,8.7,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2cc(C)c1C(F)(F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3774666,None,5.78,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(=O)OC)C(=O)O[C@H]([C@@H](C)CCCCCCCCCCCC(C)C)[C@@H](C)C(=O)N1
CHEMBL3967595,None,9.85,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
CHEMBL3347530,None,6.75,CHEMBL4462,2,Homo sapiens,2,CHEMBL4462,NAD-dependent deacetylase sirtuin 2,CCCCCCCCCCC[C@]1(CO)CCCC(=O)O[C@](CO)(CCCCCCCCCCC)CCCC(=O)O1
CHEMBL3895397,None,8.74,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,COC[C@H](C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL585404,None,10.22,CHEMBL612545,2,"Hepatitis C virus, None",2,"CHEMBL379, CHEMBL612545","Hepatitis C virus, Unchecked",C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)NC(=O)OCCC/C=C\c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL540728,None,8.72,CHEMBL387,2,Homo sapiens,2,"CHEMBL392, CHEMBL387","MCF7, A549",C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
CHEMBL371029,None,8.02,"CHEMBL1902,CHEMBL2842",2,Homo sapiens,2,"CHEMBL2842, CHEMBL1902","Serine/threonine-protein kinase mTOR, FK506-binding protein 1A",CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@H](CCc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)O[C@H]1C
CHEMBL3775624,None,6.41,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(=O)OC)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3774958,None,5.12,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCCC(C)C)OC1=O
CHEMBL3913920,None,9.36,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,[C-]#[N+]C1(COc2c(F)cc3cc2CN(C)C(=O)[C@H](Nc2ccc4c(N)nccc4c2)c2ccc(c(C)c2)[C@@H](C)COC(=O)N3)CC1
CHEMBL3970623,None,9.47,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC[C@H](O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL1715575,None,5.12,CHEMBL612545,2,"None, Rattus norvegicus",2,"CHEMBL614576, CHEMBL612545","Unchecked, H9c2",O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1
CHEMBL1731097,None,4.71,CHEMBL612545,2,None,2,CHEMBL612545,Unchecked,O=C1N[C@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL1733880,None,5.24,CHEMBL612545,2,"None, Rattus norvegicus",2,"CHEMBL614576, CHEMBL612545","Unchecked, H9c2",O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL1368499,None,4.71,CHEMBL1293264,2,"Homo sapiens, Escherichia coli",2,"CHEMBL227, CHEMBL1293264","Beta-galactosidase, Type-1 angiotensin II receptor",O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL350017,None,10.52,CHEMBL372,2,Homo sapiens,2,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl
CHEMBL3775355,None,6.37,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(=O)OC)C(=O)O[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3260946,None,7.12,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL392, CHEMBL3879801","NON-PROTEIN TARGET, A549",CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)c3ccccc3CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL1171466,None,8.35,CHEMBL325,2,Homo sapiens,2,"CHEMBL3524, CHEMBL325","Histone deacetylase 4, Histone deacetylase 1",CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](Cc3ccccc3)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL3949417,None,9.51,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL324549,None,8.19,CHEMBL3332,2,"Homo sapiens, Sus scrofa",2,"CHEMBL3332, CHEMBL372","Homo sapiens, ADAM17",CS(=O)(=O)c1ccccc1-c1ccc(C[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N3CCOCC3)CCCCNC(=O)OCCC[C@@H]2C(=O)NO)cc1
CHEMBL3920165,None,9.7,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,COCCCOc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL3986081,None,10.3,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3CCOC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3774592,None,6.64,CHEMBL3879801,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1
CHEMBL3775820,None,5.28,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O
CHEMBL3774976,None,5.04,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCC(C)C)OC1=O
CHEMBL3775146,None,4.84,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCC(C)C)OC1=O
CHEMBL3775034,None,5.06,CHEMBL385,2,"Homo sapiens, None",2,"CHEMBL3879801, CHEMBL385","K562, NON-PROTEIN TARGET",COC(=O)[C@@H](O)[C@@H]1NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@@H](C)[C@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O
CHEMBL1159468,None,4.7,CHEMBL2093867,2,"Homo sapiens, None",2,"CHEMBL612545, CHEMBL2093867","Unchecked, Protein kinase C (PKC)",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1
CHEMBL3902759,None,9.92,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3979309,None,9.05,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc([C@@H](CC(F)F)C(=O)O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
CHEMBL3930738,None,10.7,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@H]3CCOC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1
CHEMBL3956442,None,9.21,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,CC[C@@H](C(=O)O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL3892246,None,9.64,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3COC[C@@H]3O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3951355,None,8.92,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(=O)N3CCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL1699081,None,4.92,CHEMBL5113,2,Homo sapiens,2,CHEMBL5113,Orexin receptor 1,O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL3969432,None,9.85,CHEMBL3991,2,Homo sapiens,2,CHEMBL3991,Coagulation factor VII,COC[C@H](C)Oc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
CHEMBL1774294,None,4.92,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269450,None,6.38,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2ccncc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4087653,None,7.72,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCN(C)C)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL69624,None,8.36,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NCCO)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL433910,None,8.04,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(C)C)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@@H](C)C[C@@H]2OC
CHEMBL431563,None,8.54,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](N(C)C)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3251862,None,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
CHEMBL1744502,None,6.62,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC=C[C@H]1O[C@@](O)([C@@H](C)C(O)C(C)[C@H]2OC(=O)C(OC)=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C(C)CC(C)=CC=C[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C
CHEMBL292985,None,8.37,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCCO)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL173862,None,8.72,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,C=C(C)CO[C@@H]1C[C@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)CC[C@H]1O
CHEMBL352172,None,8.58,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CCCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262245,None,7.77,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)CN)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL308639,None,8.64,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)OC)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1159823,PROTEOLYTIC ENZYME INHIBITOR,9.0,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,CC(C)C[C@H]1C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)COS(=O)(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@H](O)N1C2=O
CHEMBL3244607,None,5.48,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3244595,None,4.48,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL572997,None,7.16,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2cnccn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL422367,None,8.67,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,C/C=C\C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL583094,None,7.6,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2ccncn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3977999,None,4.44,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC/C=C1/NC(=O)/C=C/[C@H](C(C)C)OC(=O)C(C)(C)[C@H](C[C@H](/C=C/C=C/C/C=C\CCC(C)C)OC)OC(=O)CNC(=O)[C@H](CNC(N)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=O)NC1=O
CHEMBL2029765,None,6.06,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)c2ocnc2C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL206297,None,5.96,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)CC(=O)N(C)CCN(C)C)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL487379,TASIPEPTIN A,6.03,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CCCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
CHEMBL407020,None,8.47,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,C=C(C)CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@@H]3C)C[C@H]1O
CHEMBL288396,None,7.1,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](NC)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL423774,None,7.29,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,COC(=O)/C=C/C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL352394,None,8.21,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC#CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC
CHEMBL158921,None,5.68,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,C=C/C=C/C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2419836,None,8.47,CHEMBL396,1,Homo sapiens,1,CHEMBL396,NCI-H460,CC[C@H](C)[C@H]1C(=O)N2CCCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
CHEMBL2207327,None,8.2,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C
CHEMBL463743,PALAU'AMIDE,7.89,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C#CCCC[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@H]([C@H](C)CC)C(=O)N(C)[C@@H](C)C(=O)O1
CHEMBL256742,MICROPEPTIN E1964,5.36,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)OC1=O
CHEMBL525977,None,4.8,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL1269443,None,6.68,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCCNC(=S)NCCO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL583096,None,6.57,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601581,None,5.91,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CC)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL582870,None,7.55,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL351140,None,8.3,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,C=CCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4070851,None,6.07,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)CC(=O)N1C
CHEMBL4097366,None,6.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL2029762,None,5.86,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Cc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774289,None,5.85,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3244608,None,5.03,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3251857,None,4.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL3251861,None,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL3251860,None,4.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CC)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL347139,None,9.03,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CCC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4066467,None,6.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N(C)CCCC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL305263,None,8.54,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC=O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2419835,None,7.05,CHEMBL396,1,Homo sapiens,1,CHEMBL396,NCI-H460,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](/C=C(\C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)C[S+]2[O-]
CHEMBL3244600,None,5.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CCl)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL1518873,None,7.46,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4081442,None,6.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COc1ccc(C[C@@H]2NC(=O)C3CCN(CC3)C(=O)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
CHEMBL526375,ULONGAPEPTIN,6.2,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C#CCCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
CHEMBL4061150,None,6.31,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL3244601,None,5.85,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)C(Cl)Cl)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL407238,None,7.19,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(C)=O)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL1269447,None,6.32,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2csc(C)n2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269449,None,6.96,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2cc(C)on2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL582869,None,7.51,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1790692,None,5.13,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)CCCCCCCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL256255,MICROPEPTIN SF909,5.36,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O
CHEMBL99640,None,10.7,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2206962,None,7.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)C/C=C/c1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1813068,MEKONGENSINE,5.51,CHEMBL612856,1,Plasmodium falciparum K1,1,CHEMBL612856,Plasmodium falciparum (isolate K1 / Thailand),CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL1813069,None,5.41,CHEMBL612856,1,Plasmodium falciparum K1,1,CHEMBL612856,Plasmodium falciparum (isolate K1 / Thailand),CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL1722114,None,4.72,CHEMBL2095149,1,Homo sapiens,1,CHEMBL2095149,Opioid receptors; mu & delta,O=C(N[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1731299,None,4.96,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1717330,None,4.98,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1269445,None,5.7,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269441,None,7.0,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCNC(=O)NCCO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1269442,None,6.66,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCNC(=S)NCCO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1269440,None,7.0,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCOC(=O)NCCO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL574205,None,7.3,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL574848,None,6.85,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL583095,None,7.08,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL158960,None,7.77,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC=C(C)C)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL267529,None,8.59,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](Oc4ccc(C)cc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3251870,None,4.67,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL454231,None,4.72,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@H](COC(=O)CCC(=O)[C@@H](OC(C)=O)CCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL256757,MICROPEPTIN SF995,6.7,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL274802,None,9.05,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](Oc4ccc(O)cc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL276650,None,8.8,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(O)cc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL414211,None,8.49,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](Oc4ccccc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL273971,None,8.28,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccccc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4085320,None,6.66,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N(C)Cc2cccc(c2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL4091724,None,6.15,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COc1ccc(C[C@@H]2NC(=O)C3CCN(CC3)C(=O)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
CHEMBL1813071,None,5.6,CHEMBL612856,1,Plasmodium falciparum K1,1,CHEMBL612856,Plasmodium falciparum (isolate K1 / Thailand),CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O
CHEMBL170897,None,7.86,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ccco4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3215313,None,4.77,CHEMBL2093867,1,Homo sapiens,1,CHEMBL2093867,Protein kinase C (PKC),C=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C(O)(O3)C3(O)OC4(C(=O)OC5C(O)COC54O)C12CC3=O
CHEMBL506817,MALLOTUSINIC ACID,5.1,CHEMBL4241,1,Rattus norvegicus,1,CHEMBL4241,Squalene monooxygenase,O=C1O[C@H]2[C@@H]3OC(=O)c4cc(Oc5c(C(=O)O)cc(O)c(O)c5O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O
CHEMBL541735,None,5.89,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029592,None,6.98,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029751,None,6.58,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774450,None,5.22,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN(C(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL1513623,None,4.45,CHEMBL1293224,1,Homo sapiens,1,CHEMBL1293224,Microtubule-associated protein tau,CC1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(N)C2O)CC2O[C@](O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
CHEMBL354218,None,8.15,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4cccs4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3674586,None,8.42,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(CCCOCCOCC)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL3244605,None,5.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CCC(=O)O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL2338547,LYNGBYASTATIN 9,6.92,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL2207325,None,9.66,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
CHEMBL276729,None,9.1,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(O)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL8875,None,8.92,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(OC)cc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL8404,None,8.77,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4cccc(O)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL263971,None,8.22,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(C)cc4)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL418067,None,8.14,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL269165,None,8.47,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(F)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029752,None,6.43,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCC(=O)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4073900,None,8.52,CHEMBL3891,1,Homo sapiens,1,CHEMBL3891,Calpain 1,CCCCCC/C=C\CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)OC1)C(C)C)C(C)C
CHEMBL2029756,None,6.63,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Cc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL567808,None,5.68,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2cccc(C(=O)NC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL572998,None,5.82,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL582873,None,7.1,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL303265,None,7.96,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)OCC(C)C)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL380436,None,5.92,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)CC(=O)OCc3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4069821,None,6.44,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
CHEMBL427781,AMPHOTERICIN A,8.0,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
CHEMBL203272,None,5.96,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)CC(=O)OCc3ccccc3)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL40743,None,6.72,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL304062,None,8.92,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC[C@@H](C)O)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029598,None,6.41,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cccnc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774299,None,4.8,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)CN(C(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL42743,TYLOSIN,8.56,CHEMBL345,1,None,1,CHEMBL345,Nucleic Acid,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
CHEMBL42743,TYLOSIN,8.56,CHEMBL345,1,None,1,CHEMBL345,Nucleic Acid,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
CHEMBL42743,TYLOSIN,8.56,CHEMBL345,1,None,1,CHEMBL345,Nucleic Acid,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
CHEMBL42743,TYLOSIN,8.56,CHEMBL345,1,None,1,CHEMBL345,Nucleic Acid,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
CHEMBL308369,None,8.42,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC[C@H](C)O)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3251864,None,5.7,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)C(C)C)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL305071,None,8.42,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)COC(C)=O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3251863,None,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
CHEMBL1744501,None,5.93,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC=C[C@H]1O[C@@](O)([C@@H](C)C(O)C(C)[C@H]2OC(=O)C(OC)=CC(C)=C[C@@H](C)[C@H](O)C(CC)[C@@H](O)[C@H](C)CC(C)=CC=C[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C
CHEMBL4078827,None,7.57,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCSCCO)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL369581,None,7.9,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(C)C)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029764,None,6.28,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL68757,None,8.42,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CCOC(=O)N[C@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC
CHEMBL3244604,None,5.46,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL2029741,None,6.25,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccncc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029597,None,5.83,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccccn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL582872,None,6.92,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL583097,None,6.82,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4079773,None,7.66,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC(=O)N2CCCC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL304557,None,7.89,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)C4CC4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL429208,CALLIPELTIN B,4.01,CHEMBL399,1,Homo sapiens,1,CHEMBL399,HeLa,CO[C@H](c1ccc(O)cc1)[C@H]1NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](NC(=O)[C@H]2NC(=O)[C@H](C)[C@@H]2C)[C@@H](C)OC(=O)[C@H](C)N(C)C1=O
CHEMBL412954,MICROPEPTIN B,6.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL3244606,None,5.55,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCC(=O)O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL1700818,None,5.93,CHEMBL1795098,1,Homo sapiens,1,CHEMBL1795098,Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1,CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
CHEMBL306552,None,8.57,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4ncc[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL364381,None,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@@]3(O)O[C@@H](C2)[C@H](C(=O)O)[C@@H](O)[C@@H]3F)C(O)C(N)C1O
CHEMBL273535,None,8.54,CHEMBL3066,1,Rattus norvegicus,1,CHEMBL3066,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL418256,None,7.73,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL4063715,None,6.09,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)NCc2cccc(c2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL3577069,None,8.21,CHEMBL363,1,Aspergillus fumigatus,1,CHEMBL363,Aspergillus fumigatus,CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)O[C@@H]1C
CHEMBL3674585,None,8.51,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(-c4ccccc4)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL2338548,LYNGBYASTATIN 8,6.92,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL4063988,None,5.42,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1
CHEMBL4089316,None,7.16,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL3251854,None,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL2304256,SCYPTOLIN A,6.8,CHEMBL2096984,1,Sus scrofa,1,CHEMBL2096984,Pancreatic elastase,CCCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[C@H](O)N(C2=O)[C@@H](C(C)O)C(=O)N[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1C)[C@@H](C)O
CHEMBL1076832,None,5.82,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL1436846,None,5.0,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H](O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H]1OC
CHEMBL3251858,None,4.83,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3251866,None,6.05,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3251852,None,5.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3244602,None,6.05,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCl)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3133265,None,9.34,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CCOCC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1076835,None,5.8,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL1076834,None,5.13,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](CO)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL2029588,None,6.36,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3244603,None,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)C(Cl)Cl)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3581528,None,7.86,CHEMBL299,1,Homo sapiens,1,CHEMBL299,Protein kinase C alpha,CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@@H](O)[C@@H](C)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(CCOC(=O)/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL3133266,None,9.55,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@@H](F)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL1078910,None,5.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL126115,None,9.64,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)CC(=O)NCCOC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL3674583,None,8.64,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccccc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL411767,ARCHAZOLID B,8.96,CHEMBL612267,1,Mus musculus,1,CHEMBL612267,L929,CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL1908336,MIDECAMYCIN,4.84,CHEMBL6020,1,Homo sapiens,1,CHEMBL6020,Bile salt export pump,CCOC(=O)[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC
CHEMBL264900,None,5.41,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)CC(=O)O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL443118,IPOMOEASSIN E,5.48,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)[C@@H](OC(C)=O)CCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL1774295,None,4.7,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CCCN1C[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL506305,IPOMOEASSIN A,6.3,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL333927,None,4.35,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CCC/C=C/CCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL540678,None,8.52,CHEMBL4829,1,Homo sapiens,1,CHEMBL4829,Acetyl-CoA carboxylase 2,CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@@H]([C@@H](C)/C=C/[C@H]1OC(=O)CCC1=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C1)[C@@H](C)[C@H](O)[C@H]2OC
CHEMBL2426330,None,5.87,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(-c2ccccc2)cc1
CHEMBL1888182,None,4.92,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1253482,None,4.83,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,O=C1CC/C=C\COc2ccccc2[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@H]3[C@@H](OC(=O)c4ccccc4)c4c(cccc4C(=O)N3C2)CO1
CHEMBL1269434,None,5.64,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCN)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774298,None,4.23,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CCNC(=O)N1C[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL2159133,None,6.0,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\C(C)C)N3C)[C@](C)(OC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1512198,None,5.1,CHEMBL2026,1,Escherichia coli K-12,1,CHEMBL2026,Beta-lactamase AmpC,CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)C(O)C(C)O2)C(C)C(O[C@@H]2OC(C)CC(N(C)C)C2O)[C@](C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)[C@]1(C)O
CHEMBL1476500,None,5.2,CHEMBL1293303,1,Influenza A virus,1,CHEMBL1293303,Nonstructural protein 1,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1671888,None,4.44,CHEMBL240,1,Homo sapiens,1,CHEMBL240,HERG,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)/C(=N/OCOCCOC)C(C)C(O)C1(C)O
CHEMBL1778051,None,7.44,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774296,None,4.89,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CCN1C[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1256538,None,5.7,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3(C)CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2159132,None,5.11,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3674584,None,8.8,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(Br)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
CHEMBL504071,None,6.85,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC(C)c1ccccc1
CHEMBL430829,None,5.4,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL1269435,None,7.96,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL1256555,None,6.52,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL2159139,None,5.1,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC/N=C1\O[C@H]2[C@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]3(C)O)O[C@H](C)C[C@@H]2N1C
CHEMBL1774288,None,5.57,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CCO/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C
CHEMBL335696,None,6.82,CHEMBL347,1,Streptococcus pneumoniae,1,CHEMBL347,Streptococcus pneumoniae,C=CCO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL2159138,None,5.54,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC/N=C1\O[C@H]2[C@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]3(C)OC)O[C@H](C)C[C@@H]2N1C
CHEMBL382132,None,5.43,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](OC(=O)CC(=O)O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778156,None,8.4,CHEMBL2203,1,Homo sapiens,1,CHEMBL2203,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
CHEMBL3674587,None,8.34,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCC/C=C/c1ccc([C@@H]2C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO2)O3)cc1
CHEMBL2204318,None,8.17,CHEMBL379,1,Hepatitis C virus,1,CHEMBL379,Hepatitis C virus,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccc3nc(-c4ccccc4)cc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL1078912,None,5.66,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL1076833,None,4.62,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](CO)OS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL1076830,None,5.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O
CHEMBL508619,TASIPEPTIN B,6.09,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CCCC(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL124616,None,9.3,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,COCCOCCOCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL3933692,None,4.99,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C=C1/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@@H](O2)[C@@H](/C=C/C=C(\C)[C@@H](O)C(=C)CCC)OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)C1
CHEMBL4095942,None,5.22,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1
CHEMBL1778046,None,6.92,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256537,None,6.51,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778054,None,6.46,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256539,None,6.46,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2047340,ILICIFOLIUNINE A,4.56,CHEMBL368,1,Trypanosoma cruzi,1,CHEMBL368,Trypanosoma cruzi,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL349357,None,8.28,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](Cc3ccccc3)NC2=O)cc1Cl
CHEMBL3356718,None,6.41,CHEMBL3559639,1,Hepatitis C virus,1,CHEMBL3559639,Nonstructural protein NS3-4A,C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)OCC/C=C/c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2
CHEMBL1159466,None,4.96,CHEMBL2093867,1,Homo sapiens,1,CHEMBL2093867,Protein kinase C (PKC),O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O)C2(O)O3
CHEMBL1774290,None,4.8,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1256547,None,7.0,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778155,None,7.0,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778050,None,7.62,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256535,None,6.44,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256558,None,7.0,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL1774293,None,4.07,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CCNC(=O)N1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1774287,None,5.8,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CCCO/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C
CHEMBL1774301,None,4.6,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL1774291,None,4.89,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1256536,None,5.62,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,C=C(C)CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]2(C)O)[C@@H]1O
CHEMBL505295,IPOMOEASSIN C,5.54,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)[C@@H](O)CCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL1688546,KOSAN-1325,8.12,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H](N(C)C)C(O)[C@H](O[C@@H]2[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O1
CHEMBL348352,None,8.15,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC=C(Cl)Cl)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL3251873,None,5.66,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3244599,None,5.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)C(C)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
CHEMBL3251868,None,6.05,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL69434,None,8.14,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](N)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL303713,None,8.66,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](N)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3244432,None,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3251874,None,4.63,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3251872,None,4.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL3133264,None,10.14,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CCCC(O)CC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1269448,None,6.54,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2nccs2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL431441,None,7.92,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2OC(C(=O)C(=O)N3CCCCC3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@H]2OC
CHEMBL1076803,CORDYCOMMUNIN,4.35,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CCCCCCCCCC1CCCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL4075065,None,5.51,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N(C)CCC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL4094012,None,5.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)NCCCC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL1200686,PIMECROLIMUS,5.0,CHEMBL6020,1,Homo sapiens,1,CHEMBL6020,Bile salt export pump,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3133260,None,9.84,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@H](O)CC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3133262,None,9.36,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC=CCC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1483648,None,5.0,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,COC1C(O)CC(=O)OC(C)C/C=C/C=C/[C@@H](OC2CCC(N(C)C)C(C)O2)C(C)C[C@@H](CC=O)[C@@H]1O[C@H]1OC(C)[C@H](O[C@@H]2C[C@@](C)(O)C(O)C(C)O2)C(N(C)C)C1O
CHEMBL584553,None,6.8,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCC(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL552944,MICROPEPTIN 90,5.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O
CHEMBL502784,IPOMOEASSIN D,7.46,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)[C@@H](OC(C)=O)CCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL346057,None,7.77,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC=C(Br)Br)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL2207717,None,10.6,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C=C(\C)[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(Cl)cc2)C(=O)N(C)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C)C(=O)O1
CHEMBL401605,MICROPEPTIN 88A,6.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC2C=CC(O)CC2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)OC1=O
CHEMBL3736113,None,5.76,CHEMBL1865,1,Homo sapiens,1,CHEMBL1865,Histone deacetylase 6,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL2032109,None,8.97,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1C[C@H]2C[C@@H]3O[C@@H](CC(=C)C3(C)C)C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\C(=O)OC)[C@H](OC(=O)/C=C/C=C/CCC)[C@@](O)(O3)C(C)(C)/C=C/[C@@H](C1)O2
CHEMBL331510,None,5.1,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CCCC/C=C/CCCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL369629,None,4.85,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)[C@@H]3C[C@@](O)([C@H](C)OC(=O)CCCC/C=C/CCCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL509784,OPPOSITINE A,4.57,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCC1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@]3(O[C@]4(C)COC(=O)c3cccnc31)[C@@]2(C)O
CHEMBL1269452,None,7.2,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2c[nH]cn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL442660,OPPOSITINE B,4.58,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCC1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@]3(O[C@]4(C)COC(=O)c3cccnc31)[C@@H]2C
CHEMBL1269439,None,6.89,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC(=O)OC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL582871,None,6.92,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCO)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269437,None,7.32,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC(C)=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL584552,None,7.17,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CCNC(=O)CO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL1778053,None,6.72,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL574429,None,6.29,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3735677,None,5.54,CHEMBL3192,1,Homo sapiens,1,CHEMBL3192,Histone deacetylase 8,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CC(=O)NO)nn4)cc3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C
CHEMBL330825,None,4.64,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CCCCCCCCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL431475,None,4.85,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CCC/C=C/CCCCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2
CHEMBL339289,None,9.3,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)NC(=O)OC(C)(C)C
CHEMBL303852,None,9.15,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CC[C@@H]1/C=C(\C)[C@@H](O)[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL414821,None,8.79,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](O)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL351445,None,8.56,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL3133261,None,9.6,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@H](O)CC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4101741,None,5.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL3133263,None,10.09,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@@H](F)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4099463,None,5.12,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COc1ccc(C[C@@H]2NC(=O)C3CCN(CC3)C(=O)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
CHEMBL501262,BRYOSTATIN 10,8.81,CHEMBL299,1,Homo sapiens,1,CHEMBL299,Protein kinase C alpha,COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\C(=O)OC)C[C@@](O)(O3)C(C)(C)/C=C/[C@@H](C1)O2
CHEMBL1811932,None,5.51,CHEMBL612856,1,Plasmodium falciparum K1,1,CHEMBL612856,Plasmodium falciparum (isolate K1 / Thailand),CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
CHEMBL3143008,None,9.22,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL3335485,None,8.19,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
CHEMBL509516,BRYOSTATIN 16,6.93,CHEMBL299,1,Homo sapiens,1,CHEMBL299,Protein kinase C alpha,COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\C(=O)OC)C=C(O3)C(C)(C)/C=C/[C@@H](C1)O2
CHEMBL583298,None,7.6,CHEMBL612558,1,None,1,CHEMBL612558,ADMET,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5ncccc45)C3)C(=O)O[C@]12C
CHEMBL583090,None,8.92,CHEMBL612558,1,None,1,CHEMBL612558,ADMET,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5cccnc45)C3)C(=O)O[C@]12C
CHEMBL4060181,None,6.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
CHEMBL396090,DEHYDROARCHAZOLID,7.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/C(=O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL3251867,None,5.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL3251859,None,4.86,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CC)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
CHEMBL224436,JOSAMYCIN,5.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL3251869,None,5.96,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL1269446,None,5.44,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC(=N)N)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269444,None,6.62,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNS(C)(=O)=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL575518,None,7.04,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NOC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269436,None,7.51,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1395149,None,5.05,CHEMBL3577,1,Homo sapiens,1,CHEMBL3577,Aldehyde dehydrogenase 1A1,CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)[C@@H]2N[C@H](COCCOC)O[C@H]([C@@H]2C)[C@]1(C)O
CHEMBL583098,None,7.05,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL1774302,None,4.82,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN(CCC)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL1774449,None,4.48,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN(C(=O)NCC)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL1269451,None,7.27,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2nc[nH]n2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774303,None,4.92,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CCN1C[C@H](C)C[C@@](C)(OC=C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
CHEMBL2159130,None,5.88,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\CCCSC)N3C)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2159135,None,5.85,CHEMBL340,1,Homo sapiens,1,CHEMBL340,Cytochrome P450 3A4,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O/C(=N\C(C)(C)C)N3C)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029744,None,6.79,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccc3ccccc3n2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029750,None,6.58,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029747,None,6.7,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cnc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL417787,None,9.05,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](Oc4ccc(OC)cc4)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL436696,None,5.76,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)N3CCOCC3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL439421,PLANKTOPEPTIN BL1061,5.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](O)CO)C(C)C)[C@@H](C)OC1=O
CHEMBL2369625,None,5.89,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@H]1OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL1790683,None,6.75,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)C(=C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL265972,None,7.92,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)C[C@@H]3CC[C@@H](O)[C@H](OC)C3)CC(=O)[C@H](C)/C=C(\C)[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C3C=CC(/C=C/1C)n1c(=O)n(-c4ccccc4)c(=O)n13)[C@H](C)C[C@@H]2OC
CHEMBL2372235,None,6.0,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL1823866,GRASSYPEPTOLIDES F,5.28,CHEMBL4977,1,Homo sapiens,1,CHEMBL4977,Proto-oncogene c-JUN,CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC1=N2
CHEMBL2203994,DIAZIRINYL ARCHAZOLID A,6.22,CHEMBL2189157,1,Manduca sexta,1,CHEMBL2189157,V-type proton ATPase subunit C,CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](OC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](OC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
CHEMBL2369616,None,5.23,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL386232,None,5.28,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2C=CCN2C(=O)OC(C)(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL1790690,None,5.96,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2369619,None,5.96,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H]([C@H](C)CO)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2369624,None,5.12,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O
CHEMBL2369620,None,5.57,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O
CHEMBL1790698,None,5.78,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)C(C(C)C)OC1=O
CHEMBL525042,None,8.0,CHEMBL2842,1,Homo sapiens,1,CHEMBL2842,Serine/threonine-protein kinase mTOR,CO[C@H]1[C@@H](O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](c2c[nH]c3c(C)cccc23)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@H](O)[C@H](C)/C=C(\C)[C@H]1O
CHEMBL3650148,None,6.2,CHEMBL254,1,Homo sapiens,1,CHEMBL254,Phosphodiesterase 4A,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@]12C
CHEMBL269435,None,9.0,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)Cc3ccc(N=[N+]=[N-])cc3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL405011,None,8.24,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](OC(=O)Cc2ccc(N=[N+]=[N-])cc2)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL2369618,None,5.81,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@]2(OC2(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2369617,None,5.87,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL269107,LARGAMIDE F,5.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccc(O)c(Br)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL3218644,None,5.64,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]([C@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC(=O)[C@H](Cc2ccccc2)NC1=O
CHEMBL499234,None,6.99,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)N4CCN(C)CC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL499234,None,6.99,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)N4CCN(C)CC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL2159004,None,4.03,CHEMBL2366516,1,Human immunodeficiency virus 1,1,CHEMBL2366516,Reverse transcriptase,Cc1c2oc3c(C)c(N)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2369551,None,5.23,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL510526,None,6.72,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCN(C)C)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL510526,None,6.72,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCN(C)C)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL2304148,None,5.0,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)OC(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1OC(C)=O
CHEMBL1276264,None,9.7,CHEMBL1793,1,Homo sapiens,1,CHEMBL1793,Parathyroid hormone receptor,CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)COC(=O)CCCCC(=O)OC[C@@H](C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
CHEMBL1790693,None,5.56,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2315000,None,5.84,CHEMBL2034,1,Homo sapiens,1,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2314998,None,6.04,CHEMBL2034,1,Homo sapiens,1,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1790696,None,5.68,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(OCC3CCCCC3)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2369622,None,5.67,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL1790680,None,6.44,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)C(C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL1790681,None,6.41,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL1790689,None,5.64,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL269721,None,8.52,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)Cc3ccc(N=[N+]=[N-])c(I)c3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL1823867,GRASSYPEPTOLIDES G,5.22,CHEMBL4977,1,Homo sapiens,1,CHEMBL4977,Proto-oncogene c-JUN,CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](Cc2ccccc2)C2=N[C@@H](CS2)C(=O)N[C@H](C)C2=N[C@@H](CS2)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C)[C@@H](C)C(=O)O[C@@H](Cc2ccccc2)C(=O)N1C
CHEMBL499943,DIDEMNIN A,7.5,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL262133,None,5.57,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL266309,None,6.0,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,COc1ccc(C[C@H]2C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C3CCCN3C(=O)[C@H](C)O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC3C(=O)N2C)cc1
CHEMBL413518,None,5.6,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL216840,None,6.11,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)N3CCCCC3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL3601575,None,6.71,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5ccccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601571,None,6.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCc4c[nH]c5ccccc45)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601578,None,6.36,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc([N+](=O)[O-])ccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2373368,None,5.57,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@@H]2CCc3ccccc3N2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3601577,None,6.33,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc(F)ccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601580,None,6.26,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCN4CCc5ccccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601573,None,5.69,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCc4c[nH]c5ccc(F)cc45)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601576,None,5.9,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc(Cl)ccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601572,None,6.23,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCc4c[nH]c5ccc(Cl)cc45)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL428447,None,8.92,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(OC)c(OC)c(OC)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL403901,LARGAMIDE E,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC(=O)[C@H](O)CO)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL3650149,None,6.7,CHEMBL254,1,Homo sapiens,1,CHEMBL254,Phosphodiesterase 4A,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CN2CCOCC2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)CN(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)C2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@@]21C
CHEMBL401953,LARGAMIDE D,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc2ccc(O)cc2)NC(=O)[C@H](O)CO)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC1=O
CHEMBL263543,None,5.52,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,COc1ccc(C[C@H]2C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)C3CCCN3C(=O)[C@H](C)O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCCC3C(=O)N2C)cc1
CHEMBL403305,MICROPEPTIN 88C,5.35,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
CHEMBL1077479,ISOAPOPTOLIDIN,4.77,CHEMBL1075103,1,Saccharomyces cerevisiae S288c,1,CHEMBL1075103,"ATP synthase subunit beta, mitochondrial",COC[C@@H](CC1O[C@@](O)([C@@H]2OC(=O)/C(C)=C/C(C)=C/C(C)=C/[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)/C=C/C(C)=C/CC[C@H](O)[C@@H](OC)C[C@@H]2O)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
CHEMBL414042,None,5.36,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3650147,None,6.06,CHEMBL254,1,Homo sapiens,1,CHEMBL254,Phosphodiesterase 4A,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)CCC[C@@H](C)C(=O)[C@H](C)C2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@@]21C
CHEMBL556531,MICROPEPTIN 88 F,5.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)OC
CHEMBL412722,MICROPEPTIN 88F,5.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
CHEMBL467872,NOCATHIACIN ACID,5.95,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL467872,NOCATHIACIN ACID,5.95,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL405852,None,5.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL262897,None,5.52,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3601579,None,6.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc(OC)ccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL554919,MICROPEPTIN 88 C,5.34,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O
CHEMBL3601574,None,6.19,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCc4cn(C)c5ccccc45)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1773899,None,7.62,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL1790684,None,6.05,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL411334,None,6.77,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)Oc3ccccc3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL558554,MICROPEPTIN 88 D,5.05,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](C[C@H]2C=C[C@H](O)CC2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O
CHEMBL410586,MICROPEPTIN 88D,5.05,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CC2C=CC(O)CC2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
CHEMBL413919,OSCILLAPEPTIN B,5.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)C(=O)N[C@@H](CCc2ccc(OC)cc2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL2373069,None,5.23,CHEMBL3663,1,Homo sapiens,1,CHEMBL3663,Growth factor receptor-bound protein 2,CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@@H]5C(=O)N[C@@H](C(C)C)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)c-4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL263427,None,8.11,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](OC(=O)CCCCCNc2ccc(N=[N+]=[N-])cc2[N+](=O)[O-])[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL441162,None,8.6,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)CCCCCNc3ccc(N=[N+]=[N-])cc3[N+](=O)[O-])[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL3969725,None,5.37,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL2370654,None,8.3,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCCNC(=O)C(N)CCCN)C(=O)O1
CHEMBL2369134,None,8.1,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)C(N)CCCN)C(=O)O1
CHEMBL407924,None,8.44,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](N)CCCN)C(=O)O1
CHEMBL2370655,None,7.92,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O1
CHEMBL3218639,None,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1(C)COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL405487,None,8.85,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1
CHEMBL2370665,None,8.7,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1
CHEMBL403900,POLYDISCAMIDE B,5.9,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C
CHEMBL404460,MIRABILIN MACROLIDE LACTUM,6.57,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CO[C@H]1[C@@H](C)C[C@H]2C[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)[C@H](O)/C=C/CC(O)CC(C(NC(=O)CC(C)CCC(C)C(O)/C(C)=C/C(C)[C@@H](O)[C@H](NC(=O)/C=C/C(C)(C)C(=O)[C@@H](C)[C@@H](O)C(C)C)[C@@H](O)C(C)C)C(C)O)OC(=O)C(C(O)C(=O)O)NC(=O)/C=C/C=C/C=C/C=C/C=C/[C@@H](OC)[C@H]1O2
CHEMBL217647,None,4.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CCCCCNC(=O)CCCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3221806,None,4.58,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(=O)N(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL256912,POLYDISCAMIDE C,5.45,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C
CHEMBL3813952,None,7.12,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,CC[C@@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCC(=O)O)[C@@H](O)[C@@H](O)C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N[C@H](CC(=O)O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1[C@H](C)C(C)C)[C@@H](C)[C@@H](C)C(N)=O
CHEMBL2370664,None,7.35,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(C)C)C(=O)O1
CHEMBL2370652,None,7.7,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)CN)C(=O)O1
CHEMBL2370651,None,6.64,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(C)=O)C(=O)O1
CHEMBL3218642,None,5.96,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1(C)COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL525411,KAHALALIDE S,5.45,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCC(O)CC(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)C(C(C)C)NC1=O
CHEMBL4068515,None,4.64,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@H](C)CC
CHEMBL2371765,None,9.2,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1
CHEMBL405628,None,6.72,CHEMBL614580,1,Homo sapiens,1,CHEMBL614580,HT-1080,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/CC2/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]3O[C@@](O)(C(=O)C(=O)N4CCCCC4C(=O)O[C@H](/C(C)=C/[C@@H]4CC[C@@H](O)[C@H](OC)C4)[C@H](C)[C@@H](O)CC2=O)[C@H](C)C[C@H]3OC)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)C2O[C@H]1[C@H](OC)C[C@H]2C
CHEMBL2152641,None,6.4,CHEMBL614925,1,Homo sapiens,1,CHEMBL614925,SK-OV-3,CCC(O[C@H]1CC[C@H](O[C@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1)C(C)C(O)C(C)C(O)C(C)C1C/C=C/C=C/C(O)CC(O)C(C)C(O)CC(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(C)C2CC(O)C(O)C(O)(CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)C(C)CCC(O)CC(O)C/C=C/C=C/C(=O)O1)O2
CHEMBL267407,None,9.6,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1
CHEMBL415843,None,9.55,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
CHEMBL2371681,None,9.7,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
CHEMBL397703,None,5.42,CHEMBL365,1,Cryptococcus neoformans,1,CHEMBL365,Filobasidiella neoformans,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNCc2ccc(F)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL3218636,None,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL2371766,None,9.05,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
CHEMBL2413482,None,7.52,CHEMBL395,1,Homo sapiens,1,CHEMBL395,HepG2,CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)C[C@@H]3CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)[C@@H](C)[C@H](O)C[C@H](O)[C@@H]1C)O3)O2
CHEMBL2371715,None,9.08,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](N)CCCN)C(=O)O1
CHEMBL2371727,None,9.05,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](N)CCCN)C(=O)O1
CHEMBL525226,ISOSWINHOLIDE A,7.46,CHEMBL395,1,Homo sapiens,1,CHEMBL395,HepG2,CO[C@H]1C[C@H]2CCC[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@H]3CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@@H]([C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)[C@@H]1C)O3)O2
CHEMBL2413484,None,7.82,CHEMBL395,1,Homo sapiens,1,CHEMBL395,HepG2,C=C1/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]2C[C@H](OC)C[C@H](C)O2)[C@@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@@H](O)C[C@H]1O)O3)O2
CHEMBL2413483,None,5.82,CHEMBL395,1,Homo sapiens,1,CHEMBL395,HepG2,CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@@H]([C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)[C@@H](C)[C@H](O)C[C@H](O)[C@@H]1C)O3)O2
CHEMBL2152640,None,6.52,CHEMBL614925,1,Homo sapiens,1,CHEMBL614925,SK-OV-3,CCC(O[C@H]1CC[C@H](O[C@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1)C(C)C(O)C(C)C(O)C(C)C1C/C=C/C=C/C(O)CC(O)C(C)C(O)CC(O)C(C)C2CC(O)C(O)C(O)(CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)C(C)CCC(O)CC(O)C/C=C/C=C/C(=O)O1)O2
CHEMBL524709,SWINHOLIDE B,7.6,CHEMBL395,1,Homo sapiens,1,CHEMBL395,HepG2,CO[C@H]1C[C@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](O)C[C@H](O)C[C@@H](OC)C[C@H]3CCC[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)[C@@H](C)[C@H](O)C[C@H](O)[C@@H]1C)O3)O2
CHEMBL256131,POLYDISCAMIDE D,5.55,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C)C(C)(C)C
CHEMBL3218637,None,5.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1(C)COC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL2370668,None,7.62,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
CHEMBL429892,None,7.98,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](OC(=O)CCCCCCCNc2ccc(N=[N+]=[N-])cc2[N+](=O)[O-])[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL508699,None,6.6,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCNC(=O)CN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL508699,None,6.6,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCNC(=O)CN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL3813963,None,8.59,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)CN(C)[C@H]([C@@H](C)O)CNC(C(OC)c2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H](C)N)[C@@H](C)O
CHEMBL1689428,MIRABAMIDE G,7.17,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,C/C=C(\NC(=O)CNC(=O)C(C)(O)C(O)/C=C\C(C)=C\C(C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H](C)N
CHEMBL1689429,MIRABAMIDE H,7.38,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,C/C=C(\NC(=O)CNC(=O)C(C)C(O)/C=C\C(C)=C\C(C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H](C)N
CHEMBL4110913,None,6.64,CHEMBL254,1,Homo sapiens,1,CHEMBL254,Phosphodiesterase 4A,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)CCC[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@]12C
CHEMBL264340,None,7.99,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)CCCCCCCNc3ccc(N=[N+]=[N-])cc3[N+](=O)[O-])[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL508306,None,6.58,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCCN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL1689426,MIRABAMIDE E,6.92,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,C/C=C(\NC(=O)CNC(=O)C(C)(O)C(O)/C=C\C(C)=C\C(C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H](C)N
CHEMBL508306,None,6.58,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCCN4CCOCC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL2407590,None,7.43,CHEMBL379,1,Hepatitis C virus,1,CHEMBL379,Hepatitis C virus,C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
CHEMBL413035,None,5.12,CHEMBL3663,1,Homo sapiens,1,CHEMBL3663,Growth factor receptor-bound protein 2,CCC(C)C1NC(=O)C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC(C(C)CC)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)ccc(C)c4oc-3c(C)c(=O)c2N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O
CHEMBL2369550,None,5.12,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,CC[C@@H](C)[C@H]1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N[C@H]([C@H](C)CC)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@@H](C)OC1=O
CHEMBL507053,None,7.11,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCNC(=O)CN(C)C)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL507053,None,7.11,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCNC(=O)CN(C)C)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL385786,TUBEIMOSIDE V,5.44,CHEMBL614247,1,Homo sapiens,1,CHEMBL614247,U-87 MG,C[C@@H]1O[C@H]2O[C@@H]3[C@H](OC[C@@H](O)[C@H]3O)OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@H]7O[C@@H](COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]7O)[C@@](C)(CO)C6CC[C@@]5(C)[C@]3(C)CC4
CHEMBL3218640,None,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL505204,None,6.07,CHEMBL4607,1,Homo sapiens,1,CHEMBL4607,Angiotensin II type 2 (AT-2) receptor,CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(OC)c(-c3nc(C(=O)NCCCN4CCN(C)CC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
CHEMBL3218635,None,5.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL3218643,None,5.7,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL1689427,MIRABAMIDE F,7.21,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,C/C=C(\NC(=O)CNC(=O)C(C)C(O)/C=C\C(C)=C\C(C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H](C)N
CHEMBL438198,FR-901469,8.07,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
CHEMBL438198,FR-901469,8.07,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1
CHEMBL2372231,None,5.82,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,COc1ccc(C[C@H]2NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](Cc7ccc(OC)cc7)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H]3CCCN3C2=O)cc1
CHEMBL2372241,None,5.7,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,COc1ccc(C[C@H]2NC(=O)CN(C)C(=O)[C@@H]3CCCN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@H](Cc7ccc(OC)cc7)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC2=O)cc1
CHEMBL2372239,None,5.7,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,COc1ccc(C[C@@H]2NC(=O)CN(C)C(=O)[C@@H]3CCCN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@@H](Cc7ccc(OC)cc7)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC2=O)cc1
CHEMBL2370666,None,8.22,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)O1
CHEMBL2370657,None,7.72,CHEMBL4844,1,Candida albicans,1,CHEMBL4844,"Beta-1,3-glucan synthase",CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC#N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)O1
CHEMBL3218638,None,6.7,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O
CHEMBL2369547,None,6.1,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](Cc5ccc(O)cc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2369549,None,6.1,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2372236,None,5.92,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](Cc5ccccc5)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2372234,None,6.05,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](Cc5ccccc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL2372240,None,5.75,CHEMBL4830,1,Mus musculus,1,CHEMBL4830,Growth factor receptor-bound protein 2,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](Cc5ccccc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](Cc3ccccc3)C(=O)O[C@@H]2C)c(N)c1=O
CHEMBL3221253,None,4.01,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1823870,GRASSYPEPTOLIDE C,7.35,CHEMBL399,1,Homo sapiens,1,CHEMBL399,HeLa,CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2
CHEMBL553157,OSCILLAPEPTIN,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)[C@@H](C)OC1=O
CHEMBL404109,OSCILLAPEPTIN A,5.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)C(=O)N[C@@H](CCc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL442482,None,8.12,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL402405,MICROPEPTIN T2,7.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL2029591,None,6.07,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2cc(C)nc3ccc(OC)cc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL184339,None,7.75,CHEMBL614734,1,Homo sapiens,1,CHEMBL614734,HMEC,CCCC[C@@H](C)C[C@H]1CN(C)[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C[C@H](C)CCCC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cn(OC)c3ccccc23)C(=O)N1
CHEMBL431706,None,5.47,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
CHEMBL283249,None,5.8,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
CHEMBL316573,None,7.66,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@H]2CC[C@H](O)[C@@H](OC)C2)CC(O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL328392,None,6.51,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](C[C@H](O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL100684,ACTINOPLANIC ACID A,6.64,CHEMBL2094108,1,Homo sapiens,1,CHEMBL2094108,Protein farnesyltransferase,CCC(CC(C)C(=O)O)C(=O)CC/C1=C/C(C)C/C(C)=C/C(C)C(O)C(C)CCC(CCCC/C=C/C(C)CCC(C)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(C(=O)O)CC(=O)OC1
CHEMBL268338,None,8.41,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4cc(F)cc(F)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL264043,None,8.82,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL1446796,None,4.45,CHEMBL1293231,1,Mus musculus,1,CHEMBL1293231,Nuclear receptor ROR-gamma,COC1CC2CCC(C)[C@](O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)/C=C(/C)C(O)C(OC)C(=O)C(C)CC(C)/C=C\C=C/C=C\1C
CHEMBL4100390,None,7.65,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC(=O)N2CCCC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](OC(=O)N3CC(O)C3)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL266343,None,6.42,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(N)=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL265771,None,6.12,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(N)=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL8423,None,8.96,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(N(C)C)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL69231,None,7.94,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC[C@@H](O)c4ccccc4)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL430809,None,7.99,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)[C@@H](O)[C@H](C)[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5ccccc5c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL437833,None,7.8,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccc(Cl)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4091778,None,7.72,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N2CCN(C)CC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL216404,None,5.86,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COC(=O)N[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL274761,None,6.82,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2(C)C(=O)O[C@H]([C@H](C)C[C@H]2CC[C@H](O)[C@@H](OC)C2)CC(O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL406329,None,8.26,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/C4CCCCC4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL384920,None,6.69,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL102676,None,7.02,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCCC2(C)C(=O)O[C@H]([C@H](C)C[C@H]2CC[C@H](O)[C@@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL216952,None,7.8,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COC(=O)N(O)[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL411958,None,8.83,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COC(=O)N(O)[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL266162,None,7.02,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(C)=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL405682,None,8.39,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCCNCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262284,None,8.6,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4cccc(F)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL303403,None,7.89,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NCCOCc4ccccc4)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL263345,None,8.31,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCCOCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL263007,None,8.48,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)[C@@H](N)Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL387416,None,7.79,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)[C@H](N)Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL408805,None,9.1,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4cccc(O)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL265767,None,9.0,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,C=C(CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC)c1ccccc1
CHEMBL437623,None,8.26,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccc(F)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL264361,None,9.74,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCC(O)c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL405272,None,7.95,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(C)c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL254783,OSCILLAPEPTIN F,6.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL84845,None,7.82,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)C2OC2c2ccccc2)OC1=O
CHEMBL8873,None,8.57,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(C)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL276664,None,8.27,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4cccc(C)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL347657,None,5.78,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccccc2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL4064999,None,8.96,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C
CHEMBL408925,None,8.89,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(CC3CC3)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C
CHEMBL425969,None,7.45,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(C(F)(F)F)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL409074,None,6.94,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)C2OC2c2ccccc2)OC1=O
CHEMBL1813070,None,5.46,CHEMBL612856,1,Plasmodium falciparum K1,1,CHEMBL612856,Plasmodium falciparum (isolate K1 / Thailand),CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O
CHEMBL74285,None,8.26,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NC(=O)OCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL2029757,None,7.16,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029757,None,7.16,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1269438,None,7.43,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCNC(=O)c2ccc3[nH]cnc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029587,None,7.6,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029587,None,7.6,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL347383,None,5.47,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CCCCC/C=C\C[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL424460,None,5.27,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL8189,None,8.59,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(SC)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL430326,None,8.47,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4cccc(OC)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL8513,None,8.85,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc(OC)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL307553,None,8.48,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](NCc4ccccc4)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
CHEMBL216672,None,8.46,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(=O)Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL425444,None,9.57,CHEMBL375,1,Mus musculus,1,CHEMBL375,Mus musculus,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCC(=O)c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4097018,None,5.8,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C
CHEMBL409034,None,8.57,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC#Cc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3650150,None,7.52,CHEMBL254,1,Homo sapiens,1,CHEMBL254,Phosphodiesterase 4A,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)C2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@@]21C
CHEMBL3278746,None,7.68,CHEMBL376,1,Rattus norvegicus,1,CHEMBL376,Rattus norvegicus,CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)OC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
CHEMBL216313,None,6.22,CHEMBL614766,1,Mus musculus,1,CHEMBL614766,Murine T-cell line,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL492595,None,6.4,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CS[C@@H]1[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c3cnc4ccccc4n3)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[S+]1[O-])C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c1cnc3ccccc3n1)C(=O)N[C@@H](C)C(=O)N2C
CHEMBL2029758,None,7.07,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)CCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029749,None,6.78,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029749,None,6.78,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL410429,None,7.85,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/C(C)(C)C)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL507131,DOLASTATIN 11,5.02,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
CHEMBL171773,None,8.16,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,C/C=C(C)/C=C/CO[C@@H]1CC[C@@H](/C=C(\C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]3(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)C[C@H]1OC
CHEMBL288534,None,7.88,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
CHEMBL2029761,None,7.21,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Cc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL403653,MICROPEPTIN T1,5.54,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
CHEMBL436659,None,7.69,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CC=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL413424,None,6.66,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)OC(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL1790677,None,5.24,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL266011,None,5.61,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)N(C)OC)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
CHEMBL265354,None,6.31,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)N(C)C)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
CHEMBL216937,None,5.89,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL384756,None,5.37,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL405523,None,8.19,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(OC)C(=O)N(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL412464,None,5.44,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(OC)C(=O)N(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL413454,None,6.09,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(=O)OC(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL3601569,None,6.62,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL405542,None,6.54,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CCCOC(=O)N(O)[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL263753,None,6.05,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CCCOC(=O)N(O)[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL408659,None,5.37,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2C=CCN2)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL254975,PLANKTOPEPTIN BL1125,6.1,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](O)CO)[C@@H](C)OC1=O
CHEMBL440434,None,9.47,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5ccccc5OC)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL437621,None,9.06,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5ccc(OC)cc5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL412818,None,9.74,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(OC)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3601456,None,6.64,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCc3cn(C)c4ccccc34)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL4059769,None,5.34,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
CHEMBL2011684,None,6.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL263752,None,5.79,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(=O)N3CCOCC3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL373669,None,6.8,CHEMBL354,1,Escherichia coli,1,CHEMBL354,Escherichia coli,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCNC(=O)CCC3=CC4=Cc5c(C)cc(C)n5[B-](F)(F)[N+]4=C3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3674588,None,7.52,CHEMBL2855,1,Rattus norvegicus,1,CHEMBL2855,Protein kinase C alpha,CCCCCCCCCCCC/C=C/c1ccc([C@@H]2C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO2)O3)cc1
CHEMBL216346,None,6.71,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)OCC(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL216841,None,6.12,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(=O)OCC(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL412761,None,7.08,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CCCCOC(=O)N(O)[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL427773,None,6.28,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CCCCOC(=O)N(O)[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
CHEMBL454218,IPOMOEASSIN B,6.4,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1
CHEMBL263850,None,6.66,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](c3ccc(C)s3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL407558,None,5.4,CHEMBL2093867,1,Homo sapiens,1,CHEMBL2093867,Protein kinase C (PKC),O=C1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3c(c(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2[C@@H]4O)-c2c1cc(O)c(O)c2O
CHEMBL266443,None,9.7,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(OC)cc(OC)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL412201,None,9.15,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CCc1cccc(-c2c[nH]c(CO[C@@H]3CC[C@@H](/C=C(\C)[C@H]4OC(=O)[C@@H]5CCCCN5C(=O)C(=O)[C@]5(O)O[C@H]([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC)C(=O)C[C@H](O)[C@H]4C)[C@@H](OC)C[C@H]5C)C[C@H]3OC)n2)c1
CHEMBL402404,OSCILLAPEPTIN C,5.55,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@@H](CO)OC)C(=O)N[C@@H](CC2C=CC(O)C=C2)C(=O)N[C@H]2CC[C@@H](OC)N1C2=O
CHEMBL254782,OSCILLAPEPTIN E,5.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)C(=O)N[C@@H](CCc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL268843,None,8.04,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL256745,MICROPEPTIN 88Y,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)[C@@H](C)OC1=O
CHEMBL562957,MICROPEPTIN 88 Y,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(=O)O)[C@@H](C)OC1=O
CHEMBL262406,None,9.29,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(C)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL519769,MICROPEPTIN 88 E,5.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O
CHEMBL254380,MICROPEPTIN 88E,5.31,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C
CHEMBL265397,None,8.42,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C=C/c4ccc(OC)cc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL4084186,None,7.63,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](CCCC(=O)N2CCC(CO)CC2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C
CHEMBL443852,None,6.36,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)N(C)O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
CHEMBL216252,None,7.56,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CCC(C)N(CC1CC1)[C@H]1C[C@@H](C)OC(O[C@@H]2[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)N(CCc4ccc(Cl)cc4)[C@@H]3[C@@H](C)C(=O)[C@H](C)C[C@]2(C)OC)[C@@H]1O
CHEMBL316794,None,6.02,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC12CCCCN1C(=O)C(=O)[C@]1(O)O[C@@H](CC[C@H]1C)C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)C[C@@H]([C@H](C)C[C@H]1CC[C@H](O)[C@H](OC)C1)OC2=O
CHEMBL408542,None,5.69,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](N(O)C(=O)N(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL407300,None,5.69,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](N(O)C(=O)N(C)C)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
CHEMBL410940,None,9.07,CHEMBL1855,1,Homo sapiens,1,CHEMBL1855,Gonadotropin-releasing hormone receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(CC3CC3)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C
CHEMBL412962,None,8.26,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC/C(C)=C/c4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL267396,None,5.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1OC(O[C@H]2/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)C(O)C(NCc2ccc(F)cc2)C1O
CHEMBL556534,MICROPEPTIN 88 N,4.82,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)N[C@@H](CC(C)C)[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O
CHEMBL276133,None,8.96,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(O)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL262995,None,9.44,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL442307,None,9.37,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5ccc(F)c(F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL437410,None,9.49,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(F)cc(F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL408603,None,9.07,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(Cl)cc(Cl)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL1933481,None,6.1,CHEMBL2782,1,Homo sapiens,1,CHEMBL2782,Acyl coenzyme A:cholesterol acyltransferase 1,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](Cn2cc(CNC(=O)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)C(=O)N[C@H](C2CCCCC2)C(=O)O1
CHEMBL1790675,None,5.32,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O
CHEMBL3601454,None,6.06,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCc3c[nH]c4ccc(Cl)cc34)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601458,None,6.31,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCn3ccc4cc(Cl)ccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601455,None,5.58,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCc3c[nH]c4ccc(F)cc34)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL564259,OSCILLAPEPTIN D,5.71,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](C[C@H]2C=C[C@H](O)CC2)NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](COS(=O)(=O)O)OC)[C@@H](C)OC1=O
CHEMBL405517,None,9.24,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(OC(F)(F)F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL265122,None,9.35,CHEMBL614309,1,None,1,CHEMBL614309,T-cells,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cccc(C(F)(F)F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
CHEMBL3740058,None,5.6,CHEMBL1681616,1,Staphylococcus aureus,1,CHEMBL1681616,Accessory gene regulator protein A,CCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H]1C(=O)N(C)/C(=C/c2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O[C@@H]1C
CHEMBL2369623,None,5.29,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CO)N(C)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL2314754,None,5.21,CHEMBL2034,1,Homo sapiens,1,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601570,None,6.83,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCN3CCc4ccccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL406624,None,5.05,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL408842,[N-ME LEU5] DIDEMNIN B,5.05,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL404989,None,5.05,CHEMBL374,1,Oryctolagus cuniculus,1,CHEMBL374,Oryctolagus cuniculus,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL3601457,None,6.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCn3ccc4ccccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601453,None,6.27,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCc3c[nH]c4ccccc34)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2314758,None,5.55,CHEMBL2034,1,Homo sapiens,1,CHEMBL2034,Glucocorticoid receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601568,None,6.09,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCn3ccc4cc([N+](=O)[O-])ccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3601567,None,6.19,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCCc2cn(CCn3ccc4cc(F)ccc43)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL335552,None,7.16,CHEMBL347,1,Streptococcus pneumoniae,1,CHEMBL347,Streptococcus pneumoniae,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cnc3ccsc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C
CHEMBL103264,None,8.4,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL4062068,None,6.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N2CCC[C@H](N2)C(=O)O1
CHEMBL3974111,None,7.04,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCN3CCOCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL89045,None,6.55,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(O)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL91990,None,6.4,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCCC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL1435425,None,4.5,CHEMBL1947,1,Homo sapiens,1,CHEMBL1947,Thyroid hormone receptor beta-1,CO[C@H]1C[C@@H]2C[C@H](O)C[C@@H](CC(=O)O[C@@H](/C=C\CC(C)C)C[C@@H]3CC[C@H](C)[C@@H](C1)O3)O2
CHEMBL88351,None,6.52,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,Cc1csc(NC(=O)CNC(=O)[C@@H]2CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)n1
CHEMBL313936,None,6.41,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89947,None,6.13,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccccc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL442238,None,4.66,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC(C)N1CCCCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc1nc(N(C)S(C)(=O)=O)c2
CHEMBL3973244,None,6.45,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCN3CCCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL89034,None,6.7,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3956374,None,6.45,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCC3CCNCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL394225,None,5.77,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(cc(N(C)S(C)(=O)=O)c2)CC1
CHEMBL1094533,None,7.23,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCN3CCOCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3628311,None,5.3,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N(C)Cc1ccccc1CC(=O)O2
CHEMBL2152375,None,5.3,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](C2CCCCC2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL486608,DEACETYLHECTOCHLORIN,5.22,CHEMBL614818,1,Homo sapiens,1,CHEMBL614818,HEK293,C[C@@H]1C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC(C)(C)[C@H](O)c2nc(cs2)C(=O)O[C@H]1CCCC(C)(Cl)Cl
CHEMBL3900978,None,8.02,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(CCCn3ccnc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL88133,None,6.82,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL86542,None,6.77,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL2152360,None,4.7,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL2152355,None,4.96,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1
CHEMBL1094532,None,6.95,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCNc3ccccn3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1097413,None,5.9,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1081726,None,5.51,CHEMBL5602,1,Homo sapiens,1,CHEMBL5602,Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL1080649,None,4.7,CHEMBL5387,1,Mus musculus,1,CHEMBL5387,Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL2152364,None,5.4,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@H]1C/C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O
CHEMBL2152361,None,5.1,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)NC1=O
CHEMBL2152354,None,4.82,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)O[C@@H]1c1ccccc1
CHEMBL1095673,None,6.5,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCc3ccccc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL419865,None,7.0,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3680940,None,6.0,CHEMBL2095231,1,Hepatitis C virus,1,CHEMBL2095231,"Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCOC(=O)N4C3)nc(Cl)cc2c1
CHEMBL557443,None,6.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COc1cc(OC)c2c(c1Cl)CC(=O)C/C=C/[C@@H](Sc1ccccc1)[C@H]1O[C@@H]1C[C@@H](C)OC2=O
CHEMBL1099196,None,6.12,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCc3ccc(Cl)c(Cl)c3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL430636,None,6.16,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL91120,None,5.92,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1)C(C)(C)C
CHEMBL88445,None,7.0,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL315276,None,6.8,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL2152357,None,5.3,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL1087530,None,5.16,CHEMBL5387,1,Mus musculus,1,CHEMBL5387,Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL122232,None,8.06,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL2152381,None,5.37,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cn2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL4089042,None,5.1,CHEMBL2111363,1,Homo sapiens,1,CHEMBL2111363,Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2),CCC(=O)CC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL3628309,None,5.43,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)Nc1ccccc1C(=O)NCC(=O)O2
CHEMBL1097785,None,7.51,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CC(=O)NCC(=O)COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL3986872,None,6.92,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCn3ccnc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL572017,None,5.11,CHEMBL1075292,1,Mus musculus,1,CHEMBL1075292,Transcription factor HES-1,C/C=C1/[C@H]2OC=C(C(=O)O)[C@H]1CC(=O)OC[C@H](c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O
CHEMBL1095162,None,7.82,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCn3ccnc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL2152372,None,5.1,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O
CHEMBL557444,None,6.57,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2C(Sc2ccccc2)/C=C\CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL386978,None,6.39,CHEMBL238,1,Homo sapiens,1,CHEMBL238,Dopamine transporter,CN1C2CCC1C1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL330249,None,6.52,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N(C)C)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89137,None,6.58,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL313519,None,6.01,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL314428,None,6.52,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,Cc1csc(NC(=O)[C@@H]2CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)n1
CHEMBL88284,None,7.08,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,COC(=O)c1csc(NC(=O)[C@@H]2CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)n1
CHEMBL40066,None,4.98,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
CHEMBL3954863,None,6.07,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCNCCO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL235853,None,5.75,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1
CHEMBL3970354,None,6.18,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCNCC(O)CO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL2152373,None,5.3,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccc(Cl)c1
CHEMBL89426,None,6.7,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL2152379,None,5.3,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL562187,None,7.22,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N\OCc2ccccc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL560066,None,6.29,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCc2ccccc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1235837,None,4.0,CHEMBL4050,1,Homo sapiens,1,CHEMBL4050,FK506 binding protein 4,CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL3650143,None,7.67,CHEMBL325,1,Homo sapiens,1,CHEMBL325,Histone deacetylase 1,CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O1
CHEMBL1611946,None,6.2,CHEMBL3397,1,Homo sapiens,1,CHEMBL3397,Cytochrome P450 2C9,CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL328483,None,6.3,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccncc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL328479,None,6.16,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL425430,None,5.12,CHEMBL2010635,1,Staphylococcus aureus,1,CHEMBL2010635,Peptide deformylase,CC1CCC/C=C/CCC(=O)CCC/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1
CHEMBL313047,None,6.31,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccncc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89512,None,6.3,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2cccnc2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89179,None,6.3,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89755,None,6.55,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL1554529,None,5.3,CHEMBL289,1,Homo sapiens,1,CHEMBL289,Cytochrome P450 2D6,CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C)O2
CHEMBL38977,None,4.93,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
CHEMBL290433,None,5.12,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,COCO[C@@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
CHEMBL2323583,None,4.15,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O
CHEMBL1081114,BROMOPHYCOLIDE T,5.08,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@H]3C[C@]2(C)[C@@H](Br)CC1
CHEMBL84955,None,5.64,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCN(CC)CCNC(=O)CO/N=C1\C=C\C=C/[C@H]2O[C@@H]2C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL89419,None,6.72,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL250918,None,7.42,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)C(F)(F)F
CHEMBL89747,None,6.22,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CCOC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)CC1
CHEMBL551685,None,8.37,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2[C@@H](CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)N2CCO
CHEMBL2425896,None,4.45,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1
CHEMBL2425899,None,6.0,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1
CHEMBL2425897,None,4.03,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1
CHEMBL2425898,None,5.11,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1
CHEMBL3426553,None,5.07,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@@H]2CCC[C@@H](C(=O)C(C)(C)[C@@H](O)CC(=O)O1)[C@H]2O
CHEMBL4094405,None,6.03,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cccc(C(N)=O)c1)c1ccc(cc1)CCOC(=O)N2
CHEMBL88651,None,6.89,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3650145,None,6.9,CHEMBL325,1,Homo sapiens,1,CHEMBL325,Histone deacetylase 1,CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
CHEMBL1597050,None,4.9,CHEMBL2093861,1,Homo sapiens,1,CHEMBL2093861,Menin/Histone-lysine N-methyltransferase MLL,C[C@H]1C/C=C/[C@@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)O/C=C/[C@](C)(O)C1=O
CHEMBL3623743,None,6.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(C(F)F)c2C(=O)O1
CHEMBL312972,None,6.89,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CCOC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)CC1
CHEMBL330547,None,6.92,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2nc(CC(=O)N3CCOCC3)cs2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL2115226,None,6.96,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL4073823,None,5.68,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1
CHEMBL3680941,None,7.37,CHEMBL2095231,1,Hepatitis C virus,1,CHEMBL2095231,"Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCOC(=O)N4C3)nc(Cl)cc2c1
CHEMBL521220,None,5.07,CHEMBL612589,1,Mus musculus,1,CHEMBL612589,4T1,C/C1=C/[C@@H](C)[C@H](O)C/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1
CHEMBL88291,None,6.31,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N3)c2c1
CHEMBL3577611,None,4.62,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)/C(=N\OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL90727,None,7.16,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL500610,None,6.18,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=CCNC(=O)C(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C
CHEMBL1235782,SORAPHEN A,8.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@@H]([C@@H](C)/C=C/[C@H]1OC)[C@@H](C)[C@H](O)[C@H]2OC
CHEMBL300794,None,7.1,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL116062,None,6.4,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CC[C@@H]1/C=C(\C)C[C@H](C)C(=O)OCCCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)OCCCOC1=O
CHEMBL88656,None,7.03,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,COc1ccc2c(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N3)c[nH]c2c1
CHEMBL90850,None,5.93,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N3)c2c1
CHEMBL1983653,None,4.53,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1NCCOC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL3742171,None,6.52,CHEMBL1681616,1,Staphylococcus aureus,1,CHEMBL1681616,Accessory gene regulator protein A,CC(C)[C@@H]1NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC1=O
CHEMBL302689,None,6.9,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1C/C=C\CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL2441613,None,6.62,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC(=O)Oc1ccc2cc1CC1=C(C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC2=O
CHEMBL1688197,None,5.14,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,COCCOCO[C@@H]1/C=C\COC(=O)/C=C/[C@@H](OC)[C@@H]2C[C@@H](OC(=O)c3ccccc3)C(C)=C1C2(C)C
CHEMBL3799929,None,5.66,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\c2ccccc2/C=C(C)/C=C/[C@H]1C
CHEMBL235645,None,4.89,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(n1)N(Cc1ccccc1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL235854,None,5.16,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(n1)CCC(c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL2114232,None,6.4,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3963562,None,6.12,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,COCCOCCOCCNCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL419576,None,6.89,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CC[C@@H]1/C=C(\C)C[C@H](C)C(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)OCCCOC1=O
CHEMBL89838,None,6.24,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCCC(C(=O)O)C2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL431008,None,6.92,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL89406,None,6.89,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)CC1
CHEMBL327831,None,6.52,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(O)CC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL316158,None,6.82,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CC(C)OC(C)C2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL185859,None,7.99,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCCCCCCCCCC/C=C2/CC(CO)(CO1)OC2=O
CHEMBL359571,None,7.66,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCCCCCCCCCC/C=C2\CC(CO)(CO1)OC2=O
CHEMBL88906,None,6.66,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(C(=O)O)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL330723,None,6.7,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)Nc2ccccn2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3426552,None,5.07,CHEMBL614004,1,Homo sapiens,1,CHEMBL614004,A2780,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@@H]2CCC[C@@H](C(=O)C(C)(C)[C@@H](O)CC(=O)O1)[C@H]2O
CHEMBL330513,None,7.07,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccc2O)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL1438113,None,5.25,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,CC(C)(C)[C@H]1COC(=O)CCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1
CHEMBL212328,None,5.72,CHEMBL238,1,Homo sapiens,1,CHEMBL238,Dopamine transporter,CN1C(=O)CCCCCCCCC(=O)OCC2C(CC3CCC2N3C)c2ccc1cc2
CHEMBL488623,None,4.36,CHEMBL612589,1,Mus musculus,1,CHEMBL612589,4T1,C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
CHEMBL3933684,None,6.33,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCCN3CCN(C)CC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3650144,None,7.33,CHEMBL325,1,Homo sapiens,1,CHEMBL325,Histone deacetylase 1,CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC1=O
CHEMBL394224,None,5.22,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(n1)N(CC1CC1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL4087980,None,9.06,CHEMBL2820,1,Homo sapiens,1,CHEMBL2820,Coagulation factor XI,COC(=O)Nc1ccc2c(c1)NC(=O)OC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1
CHEMBL4082071,None,8.42,CHEMBL2820,1,Homo sapiens,1,CHEMBL2820,Coagulation factor XI,COC(=O)Nc1ccc2c(c1)NC(=O)OCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1
CHEMBL3623744,None,6.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cc(F)ccc2C(=O)O1
CHEMBL3623740,None,6.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(F)c2C(=O)O1
CHEMBL524991,BROMOPHYCOLIDE H,5.41,CHEMBL2366246,1,Homo sapiens,1,CHEMBL2366246,DU-4475,C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](Br)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12
CHEMBL1081434,BROMOPHYCOLIDE R,5.77,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,C=C(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@]2(C)[C@@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1
CHEMBL1733059,None,6.66,CHEMBL1795086,1,Plasmodium falciparum 3D7,1,CHEMBL1795086,HSP90,CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1
CHEMBL1700347,None,5.32,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1
CHEMBL2152365,None,4.96,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@H]1[C@@H](c2ccccc2)OC(=O)CCCCC[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C
CHEMBL1081555,None,5.35,CHEMBL5602,1,Homo sapiens,1,CHEMBL5602,Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCCCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1
CHEMBL2152359,None,5.1,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C
CHEMBL1078360,None,6.05,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1ccc(CO[C@@H]2/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c3cc(OC)cc(O)c3C(=O)O[C@H]2C)cc1
CHEMBL1099197,None,6.78,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,COc1ccc(COc2cc(O)c3c(c2)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC3=O)cc1
CHEMBL4097785,None,5.04,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCc1cc2ccc1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1
CHEMBL3623742,None,6.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,Nc1cccc2c1C(=O)O[C@@H](C/C=C/NC(=O)C#Cc1ccccc1)C[C@@H](O)CC/C=C/C2
CHEMBL3623739,None,8.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(O)c2C(=O)O1
CHEMBL251118,None,6.57,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O
CHEMBL3621526,None,6.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cc([N+](=O)[O-])ccc2C(=O)O1
CHEMBL3623741,None,6.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc([N+](=O)[O-])c2C(=O)O1
CHEMBL1094225,None,6.22,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCN(C)C)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1098081,None,5.68,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,CCN(CC)c1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL399595,None,4.82,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(n1)CCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL556492,None,5.91,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO/N=C1/C=C/C=C\[C@H]2O[C@@H]2C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL1094233,None,6.29,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3334711,None,4.85,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC(=O)CC/C=C/C(=O)C2
CHEMBL3629241,None,7.11,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COC1=CC(O)C2=C(/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O)C1(F)F
CHEMBL4068569,None,7.44,CHEMBL6114,1,Homo sapiens,1,CHEMBL6114,Phospholipase A-2-activating protein,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C(F)=C\C[C@H](C)OC2=O
CHEMBL3334710,None,4.85,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC/C=C/C(=O)C2
CHEMBL3629242,None,6.44,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1cc(O)c2c(c1Br)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL3629245,None,5.58,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1cc2c(c(O)c1Br)C(=O)O[C@@H](C)C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/2
CHEMBL560924,None,6.82,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO/N=C1\C=C\C=C/[C@H]2O[C@@H]2C[C@@H](C)OC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL1080988,None,4.82,CHEMBL5387,1,Mus musculus,1,CHEMBL5387,Sonic hedgehog protein,O=C(C[C@H]1C/C=C/CCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL3629246,None,5.05,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1c(Br)c(O)c2c(c1Br)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O
CHEMBL3355001,None,5.45,CHEMBL4718,1,Homo sapiens,1,CHEMBL4718,MAP kinase-interacting serine/threonine-protein kinase MNK1,O=C1OCCOc2cc(F)ccc2Nc2ncnc3[nH]c4c(c23)CC1CC4
CHEMBL563902,None,4.8,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2OC(=O)O[C@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1367454,None,4.69,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1CCCCCCCCC(=O)OCCN1C(=O)OC(C)(C)C
CHEMBL1526733,None,5.5,CHEMBL289,1,Homo sapiens,1,CHEMBL289,Cytochrome P450 2D6,CO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C
CHEMBL1591638,None,6.5,CHEMBL3622,1,Homo sapiens,1,CHEMBL3622,Cytochrome P450 2C19,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C
CHEMBL3357680,None,4.21,CHEMBL612557,1,Mus musculus,1,CHEMBL612557,RAW264.7,C[C@H]1/C=C\C[C@@H]2[C@@H](O)CC[C@H]2CC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O
CHEMBL3629244,None,6.0,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C/C[C@H](C)OC2=O
CHEMBL3828245,None,4.29,CHEMBL391,1,Chlorocebus aethiops,1,CHEMBL391,Vero,COc1cc(O)c2c(c1Cl)/C=C/CCCC(=O)CCC[C@H](C)OC2=O
CHEMBL1098879,None,6.09,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,COc1cc(O)c2c(c1Br)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1094534,PAECILOMYCIN B,5.42,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,COc1cc(O)c2c(c1)[C@@H]1O[C@@H]([C@@H](O)C[C@H]1O)[C@H](O)/C=C/C[C@H](C)OC2=O
CHEMBL549289,None,6.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(=O)S[C@@H]1/C=C\CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@H](C)C[C@H]2O[C@@H]21
CHEMBL565044,None,5.63,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(=O)S[C@@H]1/C=C/CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@H](C)C[C@H]2O[C@@H]21
CHEMBL383015,RADANAMYCIN,5.92,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,COc1c(O)cc2c(O)c1CC(C)OC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N2
CHEMBL364849,None,6.97,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCC/C=C2\CC(CO)(CO1)CC2=O
CHEMBL1367868,None,5.4,CHEMBL289,1,Homo sapiens,1,CHEMBL289,Cytochrome P450 2D6,CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL4061009,None,6.11,CHEMBL5311,1,Homo sapiens,1,CHEMBL5311,Serine/threonine-protein kinase receptor R3,COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL4072401,None,5.75,CHEMBL5311,1,Homo sapiens,1,CHEMBL5311,Serine/threonine-protein kinase receptor R3,COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)[C@H](O)CCC[C@H](C)OC2=O
CHEMBL1094363,PAECILOMYCIN A,6.11,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O
CHEMBL1097653,None,6.44,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc(N)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1099198,None,5.77,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,COc1cc(O)c2c(c1)OCC[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1801951,None,5.58,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
CHEMBL1099228,ZEAENOL,5.0,CHEMBL5776,1,Homo sapiens,1,CHEMBL5776,Mitogen-activated protein kinase kinase kinase 7,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O
CHEMBL1669772,None,5.96,CHEMBL3507,1,Rattus norvegicus,1,CHEMBL3507,Mineralocorticoid receptor,CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCC2
CHEMBL2012394,None,4.72,CHEMBL2094128,1,Homo sapiens,1,CHEMBL2094128,Cyclin-dependent kinase 2/cyclin A,COc1cc(O)c2c(c1)/C=C/CC[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O
CHEMBL1079179,None,5.94,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@H](C)OC2=O
CHEMBL1098878,None,6.53,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,COc1cc(O)c2c(c1)NC(=O)C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL361050,None,7.28,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCC/C=C2/CC(CO)(CO1)OC2=O
CHEMBL1585045,None,4.1,CHEMBL2392,1,Homo sapiens,1,CHEMBL2392,DNA polymerase beta,C/C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
CHEMBL1599718,None,5.05,CHEMBL1293226,1,Homo sapiens,1,CHEMBL1293226,Lysine-specific demethylase 4D-like,C/C=C1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
CHEMBL2407404,None,4.48,CHEMBL383,1,Homo sapiens,1,CHEMBL383,HL-60,C[C@H]1CCC/C=C/[C@H]2CC[C@H](O)[C@H](CC(=O)O1)O2
CHEMBL1316592,None,5.5,CHEMBL1963,1,Homo sapiens,1,CHEMBL1963,Thyroid stimulating hormone receptor,C[C@H]1/C=C\CC(=O)OC[C@H](C)C(=O)N2CCC[C@@H]2C(=O)OC1
CHEMBL1669749,None,5.05,CHEMBL3507,1,Rattus norvegicus,1,CHEMBL3507,Mineralocorticoid receptor,C[C@@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1
CHEMBL1077980,None,6.46,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\OC2=O
CHEMBL1077886,None,5.35,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C(I)=C/OC2=O
CHEMBL3936686,None,4.96,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CO[C@H]1/C=C/C=C\C(=O)CCC(=O)O[C@@H](C)CCC1
CHEMBL3980956,None,5.25,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CO[C@H]1/C=C\CCC[C@H](C)OC(=O)/C=C/C(=O)/C=C\1
CHEMBL3909858,None,4.41,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCCCC[C@H](O)CC[C@H](O)/C=C/C(=O)O1
CHEMBL2407403,None,4.09,CHEMBL383,1,Homo sapiens,1,CHEMBL383,HL-60,C[C@H]1CCC/C=C/[C@H]2CC[C@H](O)[C@@H](CC(=O)O1)O2
CHEMBL1321908,None,4.5,CHEMBL4372,1,Bacillus anthracis,1,CHEMBL4372,Anthrax lethal factor,C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
CHEMBL1446621,None,5.4,CHEMBL3622,1,Homo sapiens,1,CHEMBL3622,Cytochrome P450 2C19,C[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](C)NC1=O
CHEMBL184615,None,5.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCC/C=C2\CC(CO)(CO1)OC2=O
CHEMBL3966477,None,4.44,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCC[C@@H](O)/C=C/C=C\C(=O)CCC(=O)O1
CHEMBL3891314,None,4.68,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C[C@H]1CCC/C=C/[C@H](O)/C=C\[C@H](O)/C=C/C(=O)O1
CHEMBL579033,RAMOPLANIN AGLYCON,7.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O
CHEMBL2147804,None,4.89,CHEMBL612558,1,None,1,CHEMBL612558,ADMET,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O[13CH3])[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NCCCNC(=O)CNC(=O)[C@H]4[C@@H]5C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](N)[C@@H]6O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@@](O)(O5)[C@@H](F)[C@@H]4O)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
CHEMBL1288713,None,6.97,CHEMBL612518,1,Homo sapiens,1,CHEMBL612518,LNCaP,CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2CC(C)OC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)CC[C@H](NC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)[C@H](C)OC(=O)[C@H](CC)N(C)C(=O)[C@@H]2CCCN2C[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O
CHEMBL2373671,None,6.6,CHEMBL4372,1,Bacillus anthracis,1,CHEMBL4372,Anthrax lethal factor,C[C@@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@@H]2[C@H](O)/C=C\C(=O)O1
CHEMBL1742349,None,5.1,CHEMBL3356,1,Homo sapiens,1,CHEMBL3356,Cytochrome P450 1A2,CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL1235084,None,5.12,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,O=C1CCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1
CHEMBL3916007,None,4.06,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@H](O)CCC2
CHEMBL2012390,None,5.87,CHEMBL4204,1,Homo sapiens,1,CHEMBL4204,MAP kinase signal-integrating kinase 2,C[C@H]1CCC[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL1669746,None,4.78,CHEMBL3507,1,Rattus norvegicus,1,CHEMBL3507,Mineralocorticoid receptor,COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCC/C=C\CC2
CHEMBL1591009,SPARTIOIDINE,4.6,CHEMBL4372,1,Bacillus anthracis,1,CHEMBL4372,Anthrax lethal factor,C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23
CHEMBL1077390,None,6.69,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@@H](C)COC2=O
CHEMBL2012382,None,4.72,CHEMBL2094128,1,Homo sapiens,1,CHEMBL2094128,Cyclin-dependent kinase 2/cyclin A,C[C@@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL557309,None,4.88,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2CC/C=C/[C@H](O)Cc2cc(O)cc(O)c2C(=O)O1
CHEMBL1335015,None,4.5,CHEMBL1293231,1,Mus musculus,1,CHEMBL1293231,Nuclear receptor ROR-gamma,C[C@H]1CCCC(=O)CCC/C=C/c2c(O)cc(O)cc2C(=O)O1
CHEMBL3400934,None,5.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C/C1=C\CCC(C)C(C)OC(=O)Cc2cc(O)cc(O)c2C1=O
CHEMBL2012384,None,5.79,CHEMBL4204,1,Homo sapiens,1,CHEMBL4204,MAP kinase signal-integrating kinase 2,C[C@H]1C/C=C/CCCC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL3827720,None,4.05,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C[C@H]1CCCC(=O)CCC/C=C/c2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL559732,None,4.6,CHEMBL378,1,Human immunodeficiency virus 1,1,CHEMBL378,Human immunodeficiency virus 1,C[C@@H]1C[C@@H](O)[C@@H](O)/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL550998,None,5.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL552123,None,5.11,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2O[C@@H]2C/C=C/CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL569599,None,4.88,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@@H](O)[C@H](Cl)/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL561866,None,5.04,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1C[C@H]2S[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL1095165,None,6.21,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(C(O)(F)F)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1082035,None,5.05,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@@H](CC(F)(F)F)[C@H](C)OC2=O
CHEMBL1097786,None,7.5,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCCS(C)(=O)=O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1094226,None,6.42,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCC(O)CO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3898203,None,6.73,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NOC[C@H](O)CO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3970061,None,7.25,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCC(O)CO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3931700,None,6.76,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,COCCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1096417,None,7.58,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,CCCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL2152371,None,5.16,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O
CHEMBL1394201,None,4.1,CHEMBL1075138,1,Homo sapiens,1,CHEMBL1075138,Tyrosyl-DNA phosphodiesterase 1,C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H](CC(=O)NCCO)C(=O)N1
CHEMBL2152378,None,4.64,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C/C=C/CCC(=O)N1
CHEMBL1099011,None,6.6,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL392361,None,6.4,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(n1)NCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL1095164,None,6.16,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CC(C)Oc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL3912705,None,6.18,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CNC(=O)CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1321422,None,5.5,CHEMBL3622,1,Homo sapiens,1,CHEMBL3622,Cytochrome P450 2C19,C[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O
CHEMBL3936269,None,6.18,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NC3CC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL2152370,None,5.4,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCC(F)(F)F
CHEMBL2152356,None,4.82,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@@H]2CCCN2C1=O)NCc1ccc(Cl)cc1
CHEMBL3967300,None,6.32,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(N3CCNC3=O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1592634,None,4.5,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,O=C1CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1
CHEMBL1669763,None,4.5,CHEMBL3507,1,Rattus norvegicus,1,CHEMBL3507,Mineralocorticoid receptor,CCC(=O)Oc1cc2c(c(OC(=O)CC)c1)C(=O)O[C@H](C)CCCCCCC2
CHEMBL3827476,None,4.28,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC(=O)Oc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O
CHEMBL316061,None,6.38,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL1095163,None,6.49,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CCCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL3914342,None,6.5,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCC(=O)N(C)C)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1096741,None,6.46,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc(N3CCNCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1094198,None,7.19,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CC(=O)NCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL1097698,None,6.89,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc(N3CCOCC3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1097784,None,7.37,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,C[C@@H]1OC(=O)c2c(O)cc(OCCn3ccnn3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3893740,None,7.1,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CCNc1cc(O)c2c(c1)/C=C/C[C@H](OC(=O)C(F)(F)F)[C@@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL91425,None,6.57,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL37203,None,4.82,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL3650142,None,8.36,CHEMBL325,1,Homo sapiens,1,CHEMBL325,Histone deacetylase 1,CC(C)[C@H]1NC(=O)C[C@@H](/C=C/CCS)OC(=O)C[C@H](O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC1=O
CHEMBL362890,None,8.22,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCCCCCC/C=C2/CC(CO)(CO1)OC2=O
CHEMBL187067,None,7.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1CCCCCCCCCCCCCC/C=C2\CC(CO)(CO1)OC2=O
CHEMBL2115526,None,4.52,CHEMBL4050,1,Homo sapiens,1,CHEMBL4050,FK506 binding protein 4,CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL320252,None,4.05,CHEMBL4050,1,Homo sapiens,1,CHEMBL4050,FK506 binding protein 4,CC1(C)COC(=O)CCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
CHEMBL3126831,None,6.47,CHEMBL325,1,Homo sapiens,1,CHEMBL325,Histone deacetylase 1,CSCC[C@@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@@H](C(C)C)[C@H](O)CC(=O)O2
CHEMBL288741,None,4.74,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
CHEMBL1098080,None,7.37,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,CCn1cnc2c3c(c(O)cc21)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/3
CHEMBL1097280,None,6.97,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,Cc1nc2c3c(c(O)cc2n1C)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/3
CHEMBL3922219,None,6.73,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(N3CCOC3=O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3358526,None,4.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@H]1CC/C=C/N(C)C(=O)CCC[C@@H](C)C[C@@H](C(C)(C)C)OC1=O
CHEMBL1099077,None,7.64,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc3c(ncn3C)c2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3358522,None,5.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1
CHEMBL3358524,None,5.35,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@H]1CCCCN(C)C(=O)CCC[C@@H](C)C[C@H](C(C)(C)C)OC1=O
CHEMBL88427,None,5.64,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL3358521,None,5.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1CCCC(=O)N(C)/C=C/CC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1
CHEMBL3358523,None,5.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@H]1CCCC(=O)N(C)/C=C/CC[C@H](C)C(=O)O[C@H](C(C)(C)C)C1
CHEMBL3358525,None,4.72,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C[C@@H]1CCCC(=O)N(C)/C=C/CC[C@@H](C)C(=O)O[C@H](C(C)(C)C)C1
CHEMBL90499,None,5.7,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(F)(F)F)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL3948014,None,6.84,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CCNc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(=O)O[C@@H]1C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL4082892,None,5.9,CHEMBL5311,1,Homo sapiens,1,CHEMBL5311,Serine/threonine-protein kinase receptor R3,C=C1CCC[C@H](C)OC(=O)c2c(O)cc(OC)cc2CCC[C@H](O)[C@@H]1O
CHEMBL1301249,None,5.5,CHEMBL2093861,1,Homo sapiens,1,CHEMBL2093861,Menin/Histone-lysine N-methyltransferase MLL,COc1cc2c(c(OC)c1)C(=O)OC(C)CCCC(=O)CCCCC2
CHEMBL1593232,None,7.0,CHEMBL4372,1,Bacillus anthracis,1,CHEMBL4372,Anthrax lethal factor,CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL1475192,None,5.0,CHEMBL3356,1,Homo sapiens,1,CHEMBL3356,Cytochrome P450 1A2,CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C
CHEMBL3895505,None,6.38,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL3957257,None,8.32,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C/[C@@H](C)[C@H](C)OC2=O
CHEMBL1076352,None,4.16,CHEMBL5387,1,Mus musculus,1,CHEMBL5387,Sonic hedgehog protein,O=C(C[C@@H]1C/C=C/CCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1
CHEMBL3940603,None,6.74,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CCNc1cc(O)c2c(c1)C#CC[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL3950457,None,6.44,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCC(=O)O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL3915384,None,7.0,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,C[C@@H]1OC(=O)c2c(O)cc(NCC(N)=O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL2012392,None,6.24,CHEMBL4204,1,Homo sapiens,1,CHEMBL4204,MAP kinase signal-integrating kinase 2,C[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CC/C=C/c2cc(O)cc(O)c2C(=O)O1
CHEMBL558508,RADICICOL DIACETATE,6.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)CC(=O)/C=C/C=C\[C@H]1O[C@@H]1C[C@@H](C)OC2=O
CHEMBL90332,None,6.92,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL2313364,spiruchostatin B,8.66,CHEMBL2093865,1,Homo sapiens,1,CHEMBL2093865,Histone deacetylase,CCC(C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O
CHEMBL1396867,None,5.1,CHEMBL3397,1,Homo sapiens,1,CHEMBL3397,Cytochrome P450 2C9,CO[C@H]1COC(=O)[C@H](C)NC(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
CHEMBL1442330,None,6.0,CHEMBL1293299,1,Homo sapiens,1,CHEMBL1293299,Histone-lysine N-methyltransferase MLL,CC(=O)O[C@]1(C)C(=O)OC/C2=C/CN(C)CCC(OC(=O)[C@@](O)(C(C)O)C[C@H]1C)C2=O
CHEMBL1555119,None,5.5,CHEMBL3397,1,Homo sapiens,1,CHEMBL3397,Cytochrome P450 2C9,CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C
CHEMBL38248,None,4.37,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,COCO[C@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)OCC(=O)N(C)[C@H]1Cc1ccccc1
CHEMBL38750,None,4.66,CHEMBL4302,1,Homo sapiens,1,CHEMBL4302,P-glycoprotein 1,CC(C)[C@@H]1OC(=O)[C@@H](C)COC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
CHEMBL3828600,None,4.07,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CCC(=O)Oc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O
CHEMBL1606783,None,5.49,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCCc2ccccc21
CHEMBL1551632,None,6.15,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,O=C1CC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1
CHEMBL211494,None,6.05,CHEMBL238,1,Homo sapiens,1,CHEMBL238,Dopamine transporter,CN1C2CCC1C1COC(=O)CCCCC(=O)Nc3ccc(cc3)C1C2
CHEMBL3898540,None,6.62,CHEMBL3587,1,Homo sapiens,1,CHEMBL3587,Dual specificity mitogen-activated protein kinase kinase 1,CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C/[C@@H](C)[C@H](C)OC2=O
CHEMBL1096740,None,6.36,CHEMBL614245,1,Homo sapiens,1,CHEMBL614245,THP-1,C[C@@H]1OC(=O)c2c(O)cc(N(C)C)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C
CHEMBL1095513,None,7.0,CHEMBL612794,1,Homo sapiens,1,CHEMBL612794,U-937,CCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O
CHEMBL432995,ENTEROBACTIN,9.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O
CHEMBL251307,None,6.11,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ncco3)c2)COC1=O
CHEMBL3970233,None,6.58,CHEMBL2095194,1,Homo sapiens,1,CHEMBL2095194,Coagulation factor VII/tissue factor,CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)OCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O
CHEMBL100603,None,9.1,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2426323,None,6.28,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C)cc1
CHEMBL84700,None,10.27,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N(C)C)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL318838,None,9.52,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL323633,None,7.7,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL329990,None,9.55,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
CHEMBL99856,None,9.54,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL100279,None,7.92,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(/C=C/[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
CHEMBL434475,None,6.5,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC2=O)cc1Cl
CHEMBL2426324,None,6.16,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,COc1ccc([C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@@H](C)[C@@H](C)OC(=O)[C@H]2OC)cc1
CHEMBL102236,None,9.82,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL103638,None,7.6,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2041195,JASPAMIDE D,8.36,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,CC[C@H]1NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O
CHEMBL310172,None,5.7,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCOC(=O)OC(=O)CCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL348867,None,7.43,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C1)O2
CHEMBL2426329,None,6.42,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C#N)cc1
CHEMBL1672593,None,9.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](c1ccccc1)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
CHEMBL2426327,None,6.13,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(CO)cc1
CHEMBL3342325,None,6.16,CHEMBL3341578,1,Escherichia coli (strain K12),1,CHEMBL3341578,ATP-dependent Clp protease proteolytic subunit,C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL406057,None,10.43,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
CHEMBL3244596,None,5.55,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL423091,None,8.89,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCCC3NC2=O)cc1Cl
CHEMBL430656,None,9.1,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CC(=O)O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL435458,None,6.06,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)c3ccccc3NC2=O)cc1Cl
CHEMBL1528078,None,4.9,CHEMBL4372,1,Bacillus anthracis,1,CHEMBL4372,Anthrax lethal factor,CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O
CHEMBL1671887,None,4.14,CHEMBL240,1,Homo sapiens,1,CHEMBL240,HERG,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
CHEMBL3577621,None,6.43,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O
CHEMBL3251856,None,4.97,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL4083178,None,4.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C#CCCCCCCCCC(=O)OCC[C@@H]1C(=O)N[C@@H](CO)/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1[C@H](C)CCCCCC
CHEMBL294895,None,6.79,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCC/C=C/CCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL4100786,None,4.22,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O1
CHEMBL4079630,None,5.36,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C#CCCCCCCCCC(=O)OCC[C@@H]1C(=O)NC(=C)/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1[C@H](C)CCCCCC
CHEMBL362078,None,7.55,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC/C=C/CCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL4093628,None,5.11,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1
CHEMBL338366,None,9.7,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL294511,None,6.57,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL60396,None,6.78,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCC/C=C/CC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL1879879,None,5.11,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,C[C@@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1
CHEMBL1711308,None,4.52,CHEMBL1795089,1,Human herpesvirus 4 (strain B95-8),1,CHEMBL1795089,Latent membrane protein 1,O=C1N[C@@H](Cc2c[nH]c3ccccc23)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL1729751,None,4.75,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1N[C@H](Cc2c[nH]c3ccccc23)COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL2426325,None,6.5,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(F)cc1
CHEMBL2426322,None,6.29,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1
CHEMBL87490,None,6.01,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
CHEMBL89788,None,6.6,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL86812,None,6.07,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL88030,None,6.22,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL313117,None,5.78,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL2426326,None,6.21,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1
CHEMBL2426320,None,6.66,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Cl)[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(O)cc1
CHEMBL3577613,None,6.66,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O
CHEMBL313330,None,10.66,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL349460,None,6.51,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)NC2=O)cc1Cl
CHEMBL124364,None,11.0,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C3(CC3)CNC2=O)cc1Cl
CHEMBL2041197,JASPAMIDE L,6.67,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C[C@H]1C[C@@H](C)/C=C(\CO)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O1
CHEMBL1165575,JASPAMIDE E,6.92,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1
CHEMBL2041196,JASPAMIDE K,5.47,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1O
CHEMBL405977,None,5.26,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCOC(=O)OC(=O)CCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL2426319,None,6.25,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(O)cc1
CHEMBL331014,None,10.8,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2426331,None,6.18,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(N)cc1
CHEMBL321246,None,5.22,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CC[C@@H]1/C=C(\C)C[C@H](C)C(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccccc2)[C@H](C)COC1=O
CHEMBL4080353,None,5.98,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1
CHEMBL3951609,None,7.33,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C/C1=C\[C@@H](C(C)(C)C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)CC1
CHEMBL2158215,None,5.06,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCCCCCCCCC[C@H]1OC(=O)[C@H](COCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1C
CHEMBL1370426,None,6.5,CHEMBL289,1,Homo sapiens,1,CHEMBL289,Cytochrome P450 2D6,CC(C)[C@@H]1OC(=O)/C=C\C=C/C=C\C=C/C=C\C[C@@H](O)[C@H](C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)/C=C\[C@@H]1C
CHEMBL360362,None,6.66,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL4076749,None,4.87,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL3974971,None,4.91,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O1
CHEMBL552496,ARENAMIDE A,5.43,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
CHEMBL65918,None,9.46,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)NC1CSCCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL360361,None,7.06,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC/C=C/COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
CHEMBL264636,None,6.24,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
CHEMBL430805,None,6.19,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CCCC1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C
CHEMBL1078517,ITRALAMIDE A,4.27,CHEMBL614818,1,Homo sapiens,1,CHEMBL614818,HEK293,CC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C)C(Cl)Cl
CHEMBL511006,None,5.62,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(C)NC(=O)C(=O)C(CC(F)F)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2
CHEMBL303578,None,6.45,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL411325,None,9.52,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl
CHEMBL333491,None,9.4,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl
CHEMBL2041198,PIPESTELIDE A,7.0,CHEMBL398,1,Homo sapiens,1,CHEMBL398,KB,C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(Br)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1
CHEMBL3577622,None,5.77,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O
CHEMBL1256556,None,6.75,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL1778045,None,7.23,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256554,None,6.97,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL1774300,None,4.4,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C=CO[C@]1(C)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL1256540,None,5.24,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3COC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3577229,None,4.75,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CCCCCCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL3577231,None,4.77,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCCCCCC(C)C)OC1=O
CHEMBL3251853,None,5.96,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
CHEMBL1778049,None,6.85,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3244597,None,5.2,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL3251855,None,5.17,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
CHEMBL3251865,None,5.68,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
CHEMBL1078913,None,5.92,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
CHEMBL122437,None,8.89,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC2CN3CCC2CC3)CO1
CHEMBL2204327,None,8.89,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N[C@@H]2CN3CCC2CC3)CO1
CHEMBL338008,None,9.39,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCCN2CCOCC2)CO1
CHEMBL1256557,None,6.55,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C
CHEMBL1256534,None,6.58,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL314255,None,5.35,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL350938,None,6.0,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc3ccccc3)NC2=O)cc1Cl
CHEMBL262809,None,8.07,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL83618,None,5.1,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL82395,None,6.7,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL1700973,None,4.93,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1
CHEMBL1563338,None,6.1,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,CC(C)(C)[C@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1
CHEMBL1714837,None,4.92,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1
CHEMBL351974,None,9.03,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](c3ccccc3)NC2=O)cc1Cl
CHEMBL4104829,None,6.32,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C1[C@]14OC(=O)C5=C1C[C@H]1[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC5)[C@H]5C[C@H]5[C@]1(C)[C@@H]4C[C@]3(OO)[C@H]1C[C@H]12
CHEMBL1256544,None,6.16,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3809007,None,4.37,CHEMBL612557,1,Mus musculus,1,CHEMBL612557,RAW264.7,CO[C@]12OC(=O)C(C)=C1C1=C3[C@](O)(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@]6(O)COC(=O)/C(C)=C/COC(=O)CCC(=O)OCC7=C(C[C@@H]65)[C@@]14OC7=O)[C@H]1C[C@H]1[C@]3(C)[C@H]2O
CHEMBL311220,None,4.05,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256548,None,5.6,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(O)CO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256546,None,6.34,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256545,None,6.44,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778154,None,6.44,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256543,None,5.11,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCOC)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL122051,None,6.96,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl
CHEMBL410881,None,7.2,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl
CHEMBL3356719,None,5.8,CHEMBL3559639,1,Hepatitis C virus,1,CHEMBL3559639,Nonstructural protein NS3-4A,C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)OCC/C=C/c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2
CHEMBL333531,None,8.8,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL3244598,None,5.4,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
CHEMBL4066566,None,5.11,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL4074673,None,4.54,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL77154,None,7.05,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CCC(C)C1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CCSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C
CHEMBL1078518,ITRALAMIDE B,5.22,CHEMBL614818,1,Homo sapiens,1,CHEMBL614818,HEK293,CC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(Cl)Cl
CHEMBL3342324,None,6.52,CHEMBL3341578,1,Escherichia coli (strain K12),1,CHEMBL3341578,ATP-dependent Clp protease proteolytic subunit,C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
CHEMBL2426328,None,6.22,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(CCO)cc1
CHEMBL103389,None,9.22,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2324838,None,8.22,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C=CCOC(=O)C[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL125768,None,8.96,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
CHEMBL159377,None,8.52,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](CC(C)C)NC2=O)cc1Cl
CHEMBL104949,None,7.0,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL318975,None,8.7,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL327295,None,10.3,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL102700,None,6.36,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL102573,None,7.16,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL2029740,None,5.6,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cccnc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029742,None,5.41,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccncc2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL3577230,None,4.5,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CCCCCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL1256549,None,5.42,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCF)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL314688,None,6.49,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
CHEMBL86696,None,7.46,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL328454,None,6.06,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
CHEMBL86423,None,7.32,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL82458,None,6.4,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,C=CCC1/C=C(\C)CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O
CHEMBL1727423,None,5.17,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1
CHEMBL4095773,None,5.15,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC1=C2C3=C4[C@](O)(C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)/C=C(\C)COC(=O)CCC(=O)OCC8=C(C[C@@H]76)[C@@]35OC8=O)[C@H]3C[C@H]3[C@]4(C)[C@@H](O)[C@@]2(O)OC1=O
CHEMBL2036048,None,6.66,CHEMBL612557,1,Mus musculus,1,CHEMBL612557,RAW264.7,CC1=C2C3=C4C(=C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)/C(C)=C/COC(=O)CCC(=O)OCC8=C(C[C@@H]76)[C@@]35OC8=O)[C@H]3C[C@H]3[C@]4(C)[C@@H](O)[C@@]2(O)OC1=O
CHEMBL1256550,None,5.14,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1256542,None,6.68,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778055,None,6.68,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1778047,None,7.2,CHEMBL5306,1,Oryctolagus cuniculus,1,CHEMBL5306,Motilin receptor,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL1774286,None,4.85,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OC)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL557931,None,5.89,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL553222,None,7.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL262368,None,10.85,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl
CHEMBL122085,None,9.8,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl
CHEMBL4104519,None,5.82,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)CN(C)C(=O)C2Nc1ccc2cc[nH]c(=O)c2c1
CHEMBL3680939,None,5.97,CHEMBL2095231,1,Hepatitis C virus,1,CHEMBL2095231,"Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCOC(=O)N4C3)cc(-c3ccccc3)nc2c1
CHEMBL338891,None,7.96,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)CO1
CHEMBL324539,None,6.76,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CC1(C)COC(=O)CCCCC(=O)/C=C/C(C)(C)[C@@H](CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL406149,None,5.87,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](n2cccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL1612084,None,4.55,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1
CHEMBL1484157,None,4.55,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1
CHEMBL1357349,None,7.0,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,O=C1OC[C@H]2CCCN2C(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\CC[C@H]1Cc1ccc(F)cc1
CHEMBL1474044,None,4.25,CHEMBL1075138,1,Homo sapiens,1,CHEMBL1075138,Tyrosyl-DNA phosphodiesterase 1,O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)NCCO
CHEMBL2152362,None,5.22,CHEMBL6080,1,Mus musculus,1,CHEMBL6080,Smoothened homolog,O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1
CHEMBL155531,None,7.04,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](O)C1)O2
CHEMBL4088154,None,6.08,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
CHEMBL225269,EMERICELLAMIDE A,4.64,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C
CHEMBL2407688,ROSEOCARDIN,4.82,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
CHEMBL4088208,None,5.26,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)OC(C)(C)C)C(=O)N1
CHEMBL2420696,None,7.64,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL2420697,None,9.1,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL3260943,None,5.5,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2
CHEMBL154629,None,7.64,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2
CHEMBL348272,None,6.38,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)OC)C1)O2
CHEMBL3126412,None,6.52,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C
CHEMBL3905663,None,5.01,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,C=C1/C=C(\C)[C@](C)(O)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CC/C=C/C(O)C(O)C[C@H](C)C1
CHEMBL1356731,None,6.45,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O
CHEMBL3976650,None,8.7,CHEMBL2095194,1,Homo sapiens,1,CHEMBL2095194,Coagulation factor VII/tissue factor,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
CHEMBL3680942,None,7.4,CHEMBL2095231,1,Hepatitis C virus,1,CHEMBL2095231,"Hepatitis C virus serine protease, NS3/NS4A",COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCOC(=O)N4C3)cc(-c3ccccc3)nc2c1
CHEMBL4066874,None,6.44,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(c(C)c2)CCOC(=O)Nc2cccc1c2
CHEMBL3577623,None,5.85,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]1(C)O
CHEMBL3961277,None,4.5,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O1
CHEMBL4068622,None,5.1,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)CP(=O)(OCC)OCC)C(=O)N1
CHEMBL2420699,None,7.08,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](OC)[C@@H](C)[C@H]1C[C@@H]1[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL121731,None,7.03,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C(/C=C/c1ccccc1)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL4085556,None,5.1,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C#CCCCC(=O)OCC[C@@H]1C(=O)NC(=C)/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]1[C@H](C)CCCCCC
CHEMBL282159,None,7.7,CHEMBL299,1,Homo sapiens,1,CHEMBL299,Protein kinase C alpha,CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1
CHEMBL61164,None,7.28,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,CC1C/C=C\CCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL60728,None,7.96,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,CC1C/C=C/CCCCCCCCOC(=O)N(CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1
CHEMBL125224,None,5.75,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL126047,None,8.47,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL325145,None,7.6,CHEMBL1902,1,Homo sapiens,1,CHEMBL1902,FK506-binding protein 1A,CC1(C)COC(=O)CCCCC(=O)CCC(C)(C)[C@@H](CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O
CHEMBL62182,None,7.52,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,CC1CCCCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL292373,None,8.21,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,CC1CCCCCCCCCCOC(=O)N(CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1
CHEMBL155058,None,4.3,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
CHEMBL438998,None,5.73,CHEMBL2203,1,Homo sapiens,1,CHEMBL2203,Motilin receptor,CCC[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O
CHEMBL399871,MACROLACTIN R,4.21,CHEMBL2367,1,Staphylococcus aureus subsp. aureus Mu50,1,CHEMBL2367,Peptide deformylase,C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C/C=C/[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C/C=C\C(=O)O1
CHEMBL1784527,TURNAGAINOLIDE A,6.1,CHEMBL1681616,1,Staphylococcus aureus,1,CHEMBL1681616,Accessory gene regulator protein A,CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC1=O
CHEMBL1371708,None,5.55,CHEMBL2093861,1,Homo sapiens,1,CHEMBL2093861,Menin/Histone-lysine N-methyltransferase MLL,CO[C@@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@H]1C
CHEMBL351803,None,6.75,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@H]3O[C@@H]3[C@H](O)C1)O2
CHEMBL1450117,None,8.2,CHEMBL3622,1,Homo sapiens,1,CHEMBL3622,Cytochrome P450 2C19,CO[C@@H]1COC(=O)[C@H](Cc2ccccc2)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H]1C
CHEMBL1790732,None,5.97,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H]([C@H](C)O)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL1562866,None,4.8,CHEMBL1287622,1,Homo sapiens,1,CHEMBL1287622,Lethal(3)malignant brain tumor-like protein 1,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2COC1=O
CHEMBL386626,None,6.72,CHEMBL2203,1,Homo sapiens,1,CHEMBL2203,Motilin receptor,CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O
CHEMBL399435,MACROLACTINN P,4.24,CHEMBL2367,1,Staphylococcus aureus subsp. aureus Mu50,1,CHEMBL2367,Peptide deformylase,CC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C/C=C\C(=O)O1
CHEMBL2234867,RIPOSTATIN,6.1,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C/C(=C\Cc1ccccc1)CCC(=O)C[C@H]1C[C@H](O)C/C(C)=C/C/C=C/C/C(CC(=O)O)=C\C(=O)O1
CHEMBL85583,None,5.52,CHEMBL613518,1,Rattus norvegicus,1,CHEMBL613518,NRK,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCC(N3CCCCC3)CC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
CHEMBL427884,None,8.4,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(C)S(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2
CHEMBL1669768,None,5.19,CHEMBL3507,1,Rattus norvegicus,1,CHEMBL3507,Mineralocorticoid receptor,Cc1ccc(S(=O)(=O)Oc2cc3c(c(OS(=O)(=O)c4ccc(C)cc4)c2)C(=O)O[C@H](C)CCCCCCC3)cc1
CHEMBL392564,None,5.43,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(c1)C(C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
CHEMBL402921,None,7.8,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)CC(F)(F)F
CHEMBL4077853,None,7.21,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3cc[nH]c(=O)c3c1)c1ccc(cc1)CCOC(=O)N2
CHEMBL252148,MACROLACTIN Q,4.92,CHEMBL2367,1,Staphylococcus aureus subsp. aureus Mu50,1,CHEMBL2367,Peptide deformylase,C[C@@H]1CCC/C=C\C=C\[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C/C=C\C(=O)O1
CHEMBL399664,MACROLACTIN O,4.27,CHEMBL2367,1,Staphylococcus aureus subsp. aureus Mu50,1,CHEMBL2367,Peptide deformylase,C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C/C=C/C=C\C(=O)O1
CHEMBL303590,None,7.85,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL313082,None,7.16,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL431854,None,6.21,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL327709,None,5.04,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL59732,None,7.06,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL1552334,None,4.05,CHEMBL1075138,1,Homo sapiens,1,CHEMBL1075138,Tyrosyl-DNA phosphodiesterase 1,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N[C@H](C(C)(C)C)COC1=O
CHEMBL126046,None,6.64,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)CO1
CHEMBL122919,None,7.21,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,O=C(COc1ccccc1)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL339114,None,6.08,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL338764,None,7.24,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL4064863,None,4.86,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@@H](C)CCC)[C@@H](CCOCc2ccc(OC)cc2)C(=O)N1
CHEMBL1396521,None,5.3,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,O=C1OC[C@@H]2CCCN2C(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\C[C@@H]1Cc1ccc(F)cc1
CHEMBL4080298,None,7.04,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1
CHEMBL3971304,None,6.72,CHEMBL2095194,1,Homo sapiens,1,CHEMBL2095194,Coagulation factor VII/tissue factor,CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)OCCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O
CHEMBL4095879,None,8.02,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(=O)O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
CHEMBL327639,None,6.68,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CNC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1
CHEMBL315393,None,6.75,CHEMBL3706,1,Homo sapiens,1,CHEMBL3706,ADAM17,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(N3CCCCC3)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO
CHEMBL1534142,None,4.55,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O
CHEMBL1933478,None,6.96,CHEMBL2782,1,Homo sapiens,1,CHEMBL2782,Acyl coenzyme A:cholesterol acyltransferase 1,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1
CHEMBL322840,None,7.68,CHEMBL376,1,Rattus norvegicus,1,CHEMBL376,Rattus norvegicus,C[C@@H]1CNC(C)(C)CC(=O)N[C@@H]2CCc3ccccc3N(Cc3ccc(cc3)-c3ccccc3C(=O)NCCCC(=O)O1)C2=O
CHEMBL86849,None,7.51,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
CHEMBL86873,None,6.13,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL314522,None,9.74,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL87165,None,6.38,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL89619,None,9.24,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL162213,None,10.22,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)NC2=O)cc1Cl
CHEMBL262960,None,6.3,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL85841,None,6.22,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL85272,None,9.28,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL3349529,None,8.52,CHEMBL384,1,Homo sapiens,1,CHEMBL384,HT-29,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
CHEMBL313947,None,6.57,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL3314702,None,5.06,CHEMBL613107,1,Homo sapiens,1,CHEMBL613107,PBMC,CC(=O)O[C@H]1[C@@H](O)[C@]2(CO)[C@@H](O)[C@@H](O)[C@@H]3OC(=O)[C@@](C)(OC(=O)c4ccoc4)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]2([C@H](OC(C)=O)[C@@H]14)[C@@]3(C)O
CHEMBL1717692,None,4.82,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1NC[C@@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL1438792,None,4.55,CHEMBL1293227,1,Homo sapiens,1,CHEMBL1293227,Ubiquitin carboxyl-terminal hydrolase 2,O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL1710668,None,5.0,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL225054,EMERICELLAMIDE B,4.4,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CCCCCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C
CHEMBL3577619,None,5.08,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O
CHEMBL86941,None,8.39,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL313031,None,5.89,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL3126414,None,6.47,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(/C=C/CCCO)=C\[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1
CHEMBL3126409,None,6.48,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(/C=C/CCCN(C)C)=C\[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1
CHEMBL1992836,None,4.9,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCOC1=O)OCC1c2ccccc2-c2ccccc21
CHEMBL1727544,None,5.0,CHEMBL5007,1,Mus musculus,1,CHEMBL5007,Zinc finger protein GLI1,O=C(C[C@@H]1C/C=C\C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)NCCO
CHEMBL3577225,None,5.4,CHEMBL387,1,Homo sapiens,1,CHEMBL387,MCF7,CCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
CHEMBL3577620,None,7.44,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O
CHEMBL1317175,None,5.55,CHEMBL1293248,1,Bacillus subtilis,1,CHEMBL1293248,4'-phosphopantetheinyl transferase ffp,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C\[C@H](OC)C([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)C(C(C)C)O2)OC1=O
CHEMBL1531390,None,6.2,CHEMBL1293232,1,Homo sapiens,1,CHEMBL1293232,Survival motor neuron protein,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
CHEMBL2417583,None,6.27,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](OC(C)=O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL432373,None,8.06,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL2426321,None,6.32,CHEMBL612888,1,Toxoplasma gondii,1,CHEMBL612888,Toxoplasma gondii,C/C1=C\[C@@H](C)[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1
CHEMBL509136,None,5.55,CHEMBL379,1,Hepatitis C virus,1,CHEMBL379,Hepatitis C virus,C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)O
CHEMBL60729,None,6.72,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL1933479,None,6.51,CHEMBL2782,1,Homo sapiens,1,CHEMBL2782,Acyl coenzyme A:cholesterol acyltransferase 1,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@H](C2CCCCC2)C(=O)O1
CHEMBL59405,None,6.64,CHEMBL243,1,Human immunodeficiency virus 1,1,CHEMBL243,Human immunodeficiency virus type 1 protease,O=C(NC(Cc1ccccc1)C(O)CN1C/C=C\CCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
CHEMBL407385,None,8.0,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL89807,None,5.81,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL1933480,None,6.55,CHEMBL2782,1,Homo sapiens,1,CHEMBL2782,Acyl coenzyme A:cholesterol acyltransferase 1,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C2=N[C@H](CO2)C(=O)N[C@H](C2CCCCC2)C(=O)O1
CHEMBL2029745,None,5.71,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccc3ccccc3n2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL2029748,None,5.72,CHEMBL364,1,Plasmodium falciparum,1,CHEMBL364,Plasmodium falciparum,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2cnc3ccccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O
CHEMBL554587,ARENAMIDE B,5.77,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
CHEMBL3964509,None,4.59,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O1
CHEMBL251310,None,7.34,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
CHEMBL399425,None,7.34,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O
CHEMBL448796,MALLOTINIC ACID,5.1,CHEMBL4241,1,Rattus norvegicus,1,CHEMBL4241,Squalene monooxygenase,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1
CHEMBL2368723,Tellimagrandin I,5.77,CHEMBL379,1,Hepatitis C virus,1,CHEMBL379,Hepatitis C virus,O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C(O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3cc(c(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1
CHEMBL502440,PUNICALIN,4.7,CHEMBL4241,1,Rattus norvegicus,1,CHEMBL4241,Squalene monooxygenase,O=C1OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O
CHEMBL3577614,None,5.48,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,CC[C@H]1OC(=O)[C@H](C)[C@@H](OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
CHEMBL3577612,None,4.92,CHEMBL5348,1,Serratia marcescens,1,CHEMBL5348,Chitinase B,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)C1(C)C
CHEMBL3775914,None,4.51,CHEMBL385,1,Homo sapiens,1,CHEMBL385,K562,COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O
CHEMBL4061316,None,4.67,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)/C=C/[C@H](CO)NC(=O)[C@H]1CCOCc1ccc(OC)cc1
CHEMBL4059964,None,5.64,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)[Si](C)(C)C(C)(C)C)C(=O)N1
CHEMBL4098378,None,5.81,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)[Si](CC)(CC)CC)C(=O)N1
CHEMBL132146,None,6.46,CHEMBL347,1,Streptococcus pneumoniae,1,CHEMBL347,Streptococcus pneumoniae,C=CCO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
CHEMBL2420608,None,6.85,CHEMBL394,1,Homo sapiens,1,CHEMBL394,HCT-116,CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C
CHEMBL4072704,None,4.45,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)/C=C/[C@H](CO)NC(=O)[C@H]1CCOCc1ccccc1
CHEMBL4092563,None,5.51,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOCc2ccccc2)C(=O)N1
CHEMBL349998,None,6.22,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)N(C)C)C1)O2
CHEMBL251309,None,6.89,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cc(F)cc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
CHEMBL399362,None,7.66,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O
CHEMBL401181,None,7.11,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cccc(c2F)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
CHEMBL250295,None,9.0,CHEMBL4822,1,Homo sapiens,1,CHEMBL4822,Beta-secretase 1,C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O
CHEMBL435738,None,6.15,CHEMBL3663,1,Homo sapiens,1,CHEMBL3663,Growth factor receptor-bound protein 2,CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(OP(=O)(O)O)cc2)NC(=O)OCCCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC1=O
CHEMBL4083537,None,7.34,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1OC(=O)C[C@@](O)(C/C=C/C=C(\C)[C@H]2OC(=O)CC/C=C(\C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C
CHEMBL4061758,None,7.37,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC[C@@H]1OC(=O)C[C@@H](C/C=C/C=C(\C)[C@H]2OC(=O)CC/C=C(\C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C
CHEMBL4091328,None,5.43,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1[C@H](OO)CCC(=O)O[C@H](/C(C)=C/C=C/C[C@]2(O)CC(=O)O[C@@H](CC)[C@@H]2C)[C@@H](C)/C=C\C=C/[C@H](OC(N)=O)[C@@H](C)[C@@H](O)[C@@H]1C
CHEMBL2204328,None,7.25,CHEMBL286,1,Homo sapiens,1,CHEMBL286,Renin,CC(C)(C)C(=O)NCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
CHEMBL2407689,None,5.0,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
CHEMBL4068836,None,5.6,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOCc2ccc(OC)cc2)C(=O)N1
CHEMBL3126415,None,7.26,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,COCCC/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1
CHEMBL347678,None,6.54,CHEMBL614697,1,Homo sapiens,1,CHEMBL614697,MDA-MB-435,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2
CHEMBL327294,None,6.34,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3csc(C)n3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
CHEMBL315267,None,6.0,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccnc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
CHEMBL433337,None,6.56,CHEMBL382,1,Homo sapiens,1,CHEMBL382,CCRF-CEM,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
CHEMBL164673,None,7.89,CHEMBL372,1,Homo sapiens,1,CHEMBL372,Homo sapiens,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)NC2=O)cc1Cl
CHEMBL1164839,FIJIOLIDE A,6.24,CHEMBL612545,1,None,1,CHEMBL612545,Unchecked,CC(=O)N[C@H]1CC(=O)OC[C@H](O)c2ccc3c(c2Cl)C2=CC=C[C@]2(O[C@@H]2OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]2O)[C@@H]3Oc2c(O)cc1cc2Cl
CHEMBL1725121,None,4.42,CHEMBL3879801,1,None,1,CHEMBL3879801,NON-PROTEIN TARGET,O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1
CHEMBL396553,None,5.17,CHEMBL365,1,Cryptococcus neoformans,1,CHEMBL365,Filobasidiella neoformans,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN(CCCCCC)CCCCCC)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O
