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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
CHEMBL4097785,None,5.04,CHEMBL3991,1,Homo sapiens,1,CHEMBL3991,Coagulation factor VII,CCc1cc2ccc1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
,,,,0,,0,,,CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[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
,,,,0,,0,,,COC1[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
,,,,0,,0,,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(=O)OC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
,,,,0,,0,,,CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(=O)OC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
,,,,0,,0,,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(C)=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
,,,,0,,0,,,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)OC(=O)CC
,,,,0,,0,,,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)OC(=O)CC
,,,,0,,0,,,CCCC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](N(C)C)[C@H](O)[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)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
,,,,0,,0,,,CCCCC(=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
,,,,0,,0,,,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(=O)/C=C/[C@@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
,,,,0,,0,,,C=CCO[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)/C=C(C)/C=C/C(=O)[C@H](C)C[C@@H]2CC=O)[C@H](O)[C@H]1N(C)C
,,,,0,,0,,,CCC(=O)O[C@@H]1/C=C\[C@@H]2O[C@H]2C[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(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H](CC=O)C[C@@H]1C
,,,,0,,0,,,CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
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