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P14061 | DHB1_HUMAN | 17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // adh_short_C2_1 ]

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Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4457145 OBDepict CH 3 S N H O O S O F F OH F IC50 = 0.1 nM 503.52 Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cc(F)c(F)c(O)c4F)s3)c2)cc1 Homo sapiens CHEMBL4400642 assay format
CHEMBL4529443 OBDepict CH 3 S N H O O S O F F OH F IC50 = 0.1 nM 503.52 Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cc(F)c(F)c(O)c4F)s3)c2)c1 Homo sapiens CHEMBL4400642 assay format
CHEMBL4063985 OBDepict CH 3 OH Cl S O F F OH IC50 = 0.2 nM 380.8 Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(Cl)c1O Homo sapiens CHEMBL3995154 assay format
CHEMBL4103524 OBDepict CH 3 O CH 3 Cl S O F F OH IC50 = 0.3 nM 394.83 COc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl Homo sapiens CHEMBL3995154 assay format
CHEMBL4101264 OBDepict CH 3 OH CH 3 S O F F OH IC50 = 0.4 nM 360.38 Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(C)c1O Homo sapiens CHEMBL3995154 assay format
CHEMBL4283851 OBDepict CH 3 O Cl Cl S O F F OH F IC50 = 0.4 nM 433.23 COc1c(Cl)cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1Cl Homo sapiens CHEMBL4261347 assay format
CHEMBL4454887 OBDepict CH 3 O Cl Cl S O Cl F OH IC50 = 0.5 nM 431.7 COc1c(Cl)cc(-c2ccc(C(=O)c3c(Cl)ccc(O)c3F)s2)cc1Cl Homo sapiens CHEMBL4364727 assay format
CHEMBL4079675 OBDepict CH 3 O Cl Cl S O F F OH IC50 = 0.5 nM 415.24 COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl Homo sapiens CHEMBL3995154 assay format
CHEMBL4063839 OBDepict Cl HO S O F F HO IC50 = 0.5 nM 366.77 O=C(c1ccc(-c2ccc(O)c(Cl)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4466918 OBDepict N S N H O O S O F F OH F IC50 = 0.6 nM 514.51 N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 Homo sapiens CHEMBL4361954 assay format
CHEMBL4546082 OBDepict Cl S HN O O S O F F OH F IC50 = 0.7 nM 523.94 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL4464314 OBDepict Cl S HN O O S O F F HO F IC50 = 0.8 nM 523.94 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL4286251 OBDepict O S F F HO F CH 3 CH 3 OH IC50 = 0.9 nM 378.37 Cc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc(C)c1O Homo sapiens CHEMBL4261347 assay format
CHEMBL4077264 OBDepict CH 3 O CH 3 CH 3 S O F F OH IC50 = 0.9 nM 374.41 COc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C Homo sapiens CHEMBL3995154 assay format
CHEMBL4099360 OBDepict Cl S O F F HO IC50 = 1.2 nM 350.77 O=C(c1ccc(-c2cccc(Cl)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4290218 OBDepict CH 3 O CH 3 CH 3 S O F F OH F IC50 = 1.2 nM 392.4 COc1c(C)cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1C Homo sapiens CHEMBL4261347 assay format
CHEMBL4441152 OBDepict F S HN O O S O F F OH F IC50 = 1.2 nM 507.49 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL4062959 OBDepict CH 3 O Cl S O F F OH IC50 = 1.3 nM 380.8 COc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cl Homo sapiens CHEMBL3995154 assay format
CHEMBL4582194 OBDepict F O F OH S HN S O O IC50 = 1.4 nM 471.51 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL4062685 OBDepict CH 3 O Cl N S N O CH 3 O F F OH IC50 = 1.4 nM 520.99 COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1CN1CCN(C(C)=O)CC1 Homo sapiens CHEMBL3995154 assay format
CHEMBL4072794 OBDepict Cl O F S O O NH 2 S O F F HO IC50 = 1.4 nM 463.84 NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c(F)c1Cl Homo sapiens CHEMBL4051803 assay format
CHEMBL4287575 OBDepict O S F F OH F N H IC50 = 1.5 nM 373.36 O=C(c1ccc(-c2cccc3[nH]ccc23)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4538007 OBDepict Cl O F OH S HN S O O IC50 = 1.7 nM 487.96 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1c(Cl)ccc(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL4291714 OBDepict O S F F HO F Cl OH IC50 = 1.7 nM 384.76 O=C(c1ccc(-c2ccc(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL3629587 OBDepict F O F HO S HN S O O F F F IC50 = 2.0 nM 539.5 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3631240 assay format
CHEMBL3629590 OBDepict F O F HO S N H S O O IC50 = 2.0 nM 435.47 O=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3631240 assay format
CHEMBL4585585 OBDepict F S N H O O CH 3 S O F F OH F IC50 = 2.0 nM 521.51 Cc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1NS(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4361954 assay format
CHEMBL4060257 OBDepict CH 3 N O N OH Cl S O F F OH IC50 = 2.1 nM 506.96 CC(=O)N1CCN(Cc2cc(-c3ccc(C(=O)c4c(F)ccc(O)c4F)s3)cc(Cl)c2O)CC1 Homo sapiens CHEMBL3995154 assay format
CHEMBL4082298 OBDepict CH 3 O Cl N N S N O F F OH IC50 = 2.1 nM 461.88 COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1Cn1ccnn1 Homo sapiens CHEMBL3995154 assay format
CHEMBL4078356 OBDepict F O F HO S O S O O NH 2 IC50 = 2.2 nM 411.41 NS(=O)(=O)Oc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 Homo sapiens CHEMBL4051803 assay format
CHEMBL373257 OBDepict F N N O N N N H 3 C F F F IC50 = 2.2 nM 497.5 Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3nc(-c4ccc(F)cc4)no3)(CC1)CC2 Homo sapiens CHEMBL977261 single protein format
CHEMBL4443578 OBDepict F S HN O O F S O F F OH F IC50 = 2.3 nM 525.48 O=C(c1ccc(-c2ccc(F)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL4091749 OBDepict Cl HO Cl S O F F HO IC50 = 2.4 nM 401.22 O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4099681 OBDepict F O F S O O NH 2 S O F F HO IC50 = 2.7 nM 447.39 NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c(F)c1F Homo sapiens CHEMBL4051803 assay format
CHEMBL1405 OBDepict OH H H H CH 3 O Ki = 3.0 nM 270.37 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL1014266 single protein format
CHEMBL3629586 OBDepict F O F OH S HN S O O O F F F IC50 = 3.0 nM 555.5 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3631240 assay format
CHEMBL4537350 OBDepict Cl HO Cl S O Cl F HO IC50 = 3.0 nM 417.67 O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1c(Cl)ccc(O)c1F Homo sapiens CHEMBL4364727 assay format
CHEMBL4071588 OBDepict HO S O F F HO IC50 = 3.0 nM 332.33 O=C(c1ccc(-c2ccc(O)cc2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4576023 OBDepict F S HN O O F F S O F F OH F IC50 = 3.1 nM 543.47 O=C(c1ccc(-c2cc(F)c(F)c(NS(=O)(=O)c3ccc(F)cc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL4286141 OBDepict HO F S O F F HO F IC50 = 3.1 nM 368.31 O=C(c1ccc(-c2ccc(O)c(F)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4284771 OBDepict HO S O F F HO F IC50 = 3.3 nM 350.32 O=C(c1ccc(-c2cccc(O)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4088861 OBDepict N OH S O F F OH IC50 = 3.3 nM 357.34 N#Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)ccc1O Homo sapiens CHEMBL3995154 assay format
CHEMBL4076477 OBDepict F O F HO S O S O O NH 2 IC50 = 3.4 nM 411.41 NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1 Homo sapiens CHEMBL4051803 assay format
CHEMBL4080385 OBDepict F F S O F F OH IC50 = 3.5 nM 352.31 O=C(c1ccc(-c2ccc(F)cc2F)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4459275 OBDepict N S N H O O S O F F OH F IC50 = 3.9 nM 514.51 N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cc(F)c(F)c(O)c4F)s3)c2)c1 Homo sapiens CHEMBL4361954 assay format
CHEMBL4513439 OBDepict F S HN O O F S F O F F OH F IC50 = 3.9 nM 543.47 O=C(c1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL3629588 OBDepict F O F OH S HN S O O N IC50 = 4.0 nM 472.49 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3631240 assay format
CHEMBL4443361 OBDepict N S HN O O S O F F OH F IC50 = 4.3 nM 514.51 N#Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1 Homo sapiens CHEMBL4361954 assay format
CHEMBL4439604 OBDepict O S F F HO F N H S O O IC50 = 4.6 nM 453.46 O=C(c1ccc(-c2cccc(NS(=O)(=O)C3CC3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL4091053 OBDepict CH 3 O Cl N S NH O F F OH IC50 = 4.7 nM 478.95 COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1CN1CCNCC1 Homo sapiens CHEMBL3995154 assay format
CHEMBL4289569 OBDepict O S F F OH F Cl Cl HO IC50 = 4.7 nM 419.21 O=C(c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4552641 OBDepict O S F F OH F HN S O O F F F IC50 = 4.8 nM 557.49 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL1277801 OBDepict OH O S Cl HO IC50 = 5.0 nM 330.79 O=C(c1cccc(O)c1)c1ccc(-c2ccc(O)c(Cl)c2)s1 Homo sapiens CHEMBL1285468 assay format
CHEMBL4474456 OBDepict F S HN O O H 3 C S O F F OH F IC50 = 5.0 nM 521.51 Cc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1 Homo sapiens CHEMBL4361954 assay format
CHEMBL3629592 OBDepict H 3 C N S S H 3 C O O O F F HO IC50 = 5.0 nM 463.53 Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(N(C)S(=O)(=O)C2CC2)c1 Homo sapiens CHEMBL3631240 assay format
CHEMBL3629591 OBDepict CH 3 N H S S O O O F F OH IC50 = 5.0 nM 449.5 Cc1cc(NS(=O)(=O)C2CC2)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 Homo sapiens CHEMBL3631240 assay format
CHEMBL2170762 OBDepict OH S N O F OH IC50 = 5.0 nM 289.29 O=C(c1nc2ccc(O)cc2s1)c1cccc(O)c1F Homo sapiens CHEMBL2173705 assay format
CHEMBL4295076 OBDepict O S F F OH F OH IC50 = 5.2 nM 350.32 O=C(c1ccc(-c2ccccc2O)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4276985 OBDepict H 2 N F F S O F F HO F IC50 = 5.3 nM 385.31 Nc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc(F)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4292910 OBDepict O S F F OH F N H IC50 = 5.8 nM 373.36 O=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4278956 OBDepict OH S O F F HO F IC50 = 5.9 nM 364.34 O=C(c1ccc(-c2cccc(CO)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL1277617 OBDepict OH O S F OH IC50 = 6.0 nM 314.34 O=C(c1cccc(O)c1)c1ccc(-c2cccc(O)c2F)s1 Homo sapiens CHEMBL1285468 assay format
CHEMBL4285743 OBDepict O S F F OH F HN S O O O F F F IC50 = 6.0 nM 573.49 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL3629589 OBDepict CH 3 N N S NH O O S O F F OH IC50 = 6.0 nM 475.5 Cn1cnc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4c(F)ccc(O)c4F)s3)c2)c1 Homo sapiens CHEMBL3631240 assay format
CHEMBL4089862 OBDepict CH 3 O Cl Cl S O OH IC50 = 6.0 nM 379.26 COc1c(Cl)cc(-c2ccc(C(=O)c3cccc(O)c3)s2)cc1Cl Homo sapiens CHEMBL3995154 assay format
CHEMBL4476100 OBDepict F HO CH 3 O S CH 3 CH 3 OH IC50 = 6.0 nM 356.42 Cc1cc(-c2ccc(C(=O)c3cc(F)cc(O)c3C)s2)cc(C)c1O Homo sapiens CHEMBL4364727 assay format
CHEMBL4455556 OBDepict O S F F OH F HN S O O N IC50 = 6.3 nM 490.48 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL4276934 OBDepict O S F F OH F IC50 = 6.7 nM 334.32 O=C(c1ccc(-c2ccccc2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4293119 OBDepict CH 3 O S O F F HO F IC50 = 6.8 nM 364.34 COc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1 Homo sapiens CHEMBL4261347 assay format
CHEMBL4471724 OBDepict Cl N S HN O O S O F F OH F IC50 = 6.9 nM 524.93 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL3645224 OBDepict H 3 C O NH O O CH 3 IC50 = 7.0 nM 383.45 COc1cc(C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1 Homo sapiens CHEMBL3705053 assay format
CHEMBL4293115 OBDepict HO S O F F HO F IC50 = 7.0 nM 350.32 O=C(c1ccc(-c2ccc(O)cc2)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4261347 assay format
CHEMBL4066635 OBDepict F O S S O O NH 2 O F F OH IC50 = 7.1 nM 429.4 NS(=O)(=O)Oc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1F Homo sapiens CHEMBL4051803 assay format
CHEMBL4461477 OBDepict O S F OH HN S O O IC50 = 7.2 nM 453.52 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1cccc(O)c1F Homo sapiens CHEMBL4400642 assay format
CHEMBL4092593 OBDepict F F S O F F HO F IC50 = 7.2 nM 370.3 O=C(c1ccc(-c2ccc(F)cc2F)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL4283199 OBDepict H 3 C O S O F F HO F IC50 = 7.3 nM 364.34 COc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 Homo sapiens CHEMBL4261347 assay format
CHEMBL256777 OBDepict N N N IC50 = 7.5 nM 271.41 C1CCc2nnc(C34CC5CC(CC(C5)C3)C4)n2CC1 Homo sapiens CHEMBL977264 cell-based format
CHEMBL4073469 OBDepict N O S CH 3 H 3 C O F F OH IC50 = 8.0 nM 399.42 CC(C)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C#N Homo sapiens CHEMBL3995154 assay format
CHEMBL1277708 OBDepict OH O S CH 3 OH IC50 = 8.0 nM 310.37 Cc1cc(-c2ccc(C(=O)c3cccc(O)c3)s2)ccc1O Homo sapiens CHEMBL1285468 assay format
CHEMBL3629439 OBDepict Br O S N H O O S O HO F F F IC50 = 8.0 nM 598.42 O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)s1 Homo sapiens CHEMBL3631240 assay format
CHEMBL577338 OBDepict OH S F HO IC50 = 8.0 nM 286.33 Oc1cccc(-c2ccc(-c3ccc(O)c(F)c3)s2)c1 Homo sapiens CHEMBL1036977 assay format
CHEMBL4528459 OBDepict O S F F HO F S O O CH 3 IC50 = 8.0 nM 412.41 CS(=O)(=O)c1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 Homo sapiens CHEMBL4364727 assay format
CHEMBL4519897 OBDepict O S OH Cl N H S O O IC50 = 8.2 nM 469.97 O=C(c1ccc(Cl)c(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1 Homo sapiens CHEMBL4400642 assay format
CHEMBL4584616 OBDepict Cl N S HN O O F F S O F F OH F IC50 = 8.8 nM 560.91 O=C(c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)s1)c1cc(F)c(F)c(O)c1F Homo sapiens CHEMBL4361954 assay format
CHEMBL3629584 OBDepict NH 2 S O F F OH IC50 = 10.0 nM 331.34 Nc1cccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 Homo sapiens CHEMBL3631240 assay format
CHEMBL4450450 OBDepict O S F F HO F N H S O O CH 3 IC50 = 10.0 nM 427.43 CS(=O)(=O)Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 Homo sapiens CHEMBL4361954 assay format
CHEMBL3645221 OBDepict CH 3 O N H O CH 3 O CH 3 IC50 = 10.0 nM 321.38 COc1ccc2cc(-c3ccc(NC(C)=O)c(OC)c3)ccc2c1 Homo sapiens CHEMBL3705053 assay format
CHEMBL4447938 OBDepict N S N H O O S O F F OH F IC50 = 10.1 nM 514.51 N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cc(F)c(F)c(O)c4F)s3)c2)cc1 Homo sapiens CHEMBL4361954 assay format
CHEMBL4083849 OBDepict F O F HO S IC50 = 11.0 nM 316.33 O=C(c1ccc(-c2ccccc2)s1)c1c(F)ccc(O)c1F Homo sapiens CHEMBL3995154 assay format
CHEMBL2170750 OBDepict HO S N O OH F IC50 = 11.0 nM 289.29 O=C(c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1 Homo sapiens CHEMBL2173699 cell-based format
CHEMBL4470668 OBDepict N S HN O O F F S O F F HO F IC50 = 11.4 nM 550.49 N#Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C(=O)c4cc(F)c(F)c(O)c4F)s3)c(F)cc2F)cc1 Homo sapiens CHEMBL4361954 assay format
CHEMBL3629595 OBDepict OH O S HO IC50 = 12.0 nM 270.31 O=C(c1cccc(O)c1)c1cc2ccc(O)cc2s1 Homo sapiens CHEMBL3631240 assay format
CHEMBL3629593 OBDepict CH 3 S N H O O S O OH IC50 = 12.0 nM 449.55 Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1 Homo sapiens CHEMBL3631240 assay format
CHEMBL2170753 OBDepict OH F O S N HO IC50 = 13.0 nM 289.29 O=C(c1nc2ccc(O)cc2s1)c1cc(O)ccc1F Homo sapiens CHEMBL2173705 assay format
CHEMBL4277596 OBDepict O S F F OH F H 2 N HO IC50 = 13.0 nM 365.33 Nc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)ccc1O Homo sapiens CHEMBL4261347 assay format
CHEMBL257010 OBDepict O N H H N H O IC50 = 14.0 nM 362.47 O=C(Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1)c1ccccc1 Homo sapiens CHEMBL977267 assay format
CHEMBL4556587 OBDepict CH 3 O Cl Cl S O F Cl OH IC50 = 15.0 nM 431.7 COc1c(Cl)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3Cl)s2)cc1Cl Homo sapiens CHEMBL4364727 assay format
CHEMBL1080107 OBDepict O CH 3 H H H HO IC50 = 15.0 nM 388.55 C[C@]12CC[C@@H]3c4cc(CCc5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O Homo sapiens CHEMBL1102464 assay format
CHEMBL4291052 OBDepict CH 3 O S O F F OH F IC50 = 15.0 nM 364.34 COc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1 Homo sapiens CHEMBL4261347 assay format
CHEMBL4459887 OBDepict F O Cl OH S HN S O O IC50 = 15.6 nM 487.96 O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1)c1c(F)ccc(O)c1Cl Homo sapiens CHEMBL4400642 assay format