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P37058 | DHB3_HUMAN | 17-beta-hydroxysteroid dehydrogenase type 3 (HSD17B3)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL206167 OBDepict H 3 C O O N O H 3 C Cl IC50 = 0.02 nM 419.91 COC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 Homo sapiens CHEMBL864402 single protein format
CHEMBL206432 OBDepict H 3 C N O IC50 = 0.02 nM 327.43 CC(=O)N1Cc2cc(-c3ccccc3)ccc2CCc2ccccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL206384 OBDepict Cl N O CH 3 O CH 3 IC50 = 0.02 nM 403.91 CC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 Homo sapiens CHEMBL864402 single protein format
CHEMBL204882 OBDepict H 3 C O O N O H 3 C Br IC50 = 0.7 nM 464.36 COC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Br)cc1CC2 Homo sapiens CHEMBL864402 single protein format
CHEMBL206405 OBDepict OH N O H 3 C Cl IC50 = 0.9 nM 391.9 CC(=O)N1Cc2cc(-c3ccccc3CO)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018254 OBDepict CH 3 O N S O O F Cl OH IC50 = 1.0 nM 379.8 COc1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(Cl)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL383546 OBDepict CH 3 O O N O CH 3 Cl IC50 = 1.4 nM 419.91 COC(=O)c1cccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2CC3)c1 Homo sapiens CHEMBL864402 single protein format
CHEMBL589158 OBDepict OH O O S N H 3 C IC50 = 1.5 nM 299.35 Cc1cccc(SCc2cc(=O)oc3cc(O)ccc23)n1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL2018249 OBDepict CH 3 O N S O O F HO IC50 = 2.0 nM 345.35 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(F)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL206331 OBDepict H 3 C O N O H 3 C Cl IC50 = 2.0 nM 391.9 COc1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018141 OBDepict CH 3 N S O O Br HO IC50 = 2.0 nM 390.26 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018139 OBDepict F N S O O Br OH IC50 = 2.0 nM 394.22 O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(F)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL382563 OBDepict Cl N O CH 3 N H S O O CH 3 IC50 = 2.0 nM 454.98 CC(=O)N1Cc2cc(-c3ccccc3NS(C)(=O)=O)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018131 OBDepict S S N O Br HO IC50 = 3.0 nM 398.35 O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1C1CCCCC1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL590129 OBDepict OH O O S N IC50 = 3.0 nM 285.32 O=c1cc(CSc2ccccn2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL205426 OBDepict N N O CH 3 Cl IC50 = 3.0 nM 386.88 CC(=O)N1Cc2cc(-c3cccc(C#N)c3)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018142 OBDepict S O N O Br F F F HO IC50 = 3.0 nM 444.23 O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL204349 OBDepict N N O CH 3 Cl IC50 = 3.0 nM 386.88 CC(=O)N1Cc2cc(-c3ccc(C#N)cc3)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL206217 OBDepict CH 3 O N O H 3 C Cl IC50 = 3.0 nM 391.9 COc1ccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2CC3)cc1 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018238 OBDepict CH 3 O N N O O O Br HO IC50 = 4.0 nM 391.18 COc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cn1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018242 OBDepict O O N O N N Br CH 3 CH 3 HO IC50 = 4.0 nM 404.22 CN(C)c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cn1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018250 OBDepict CH 3 O N S O O Cl HO IC50 = 4.0 nM 361.81 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL205666 OBDepict Cl N O CH 3 IC50 = 4.0 nM 361.87 CC(=O)N1Cc2cc(-c3ccccc3)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018253 OBDepict CH 3 O N S O O F F OH IC50 = 5.0 nM 363.34 COc1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(F)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL205915 OBDepict N N O CH 3 Cl IC50 = 5.0 nM 386.88 CC(=O)N1Cc2cc(-c3ccccc3C#N)ccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018251 OBDepict CH 3 O N S O O Cl HO IC50 = 5.0 nM 361.81 COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3Cl)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018140 OBDepict Cl N S O O Br OH IC50 = 6.0 nM 410.68 O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(Cl)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018135 OBDepict S O N O Br HO IC50 = 6.0 nM 376.23 O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccccc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL205144 OBDepict Br N O H 3 C IC50 = 7.0 nM 330.23 CC(=O)N1Cc2ccc(Br)cc2CCc2ccccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018136 OBDepict CH 3 O N S O O Br HO IC50 = 7.0 nM 406.26 COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)c1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL206250 OBDepict CH 3 O N O H 3 C Cl IC50 = 8.0 nM 391.9 COc1cccc(-c2ccc3c(c2)CN(C(C)=O)c2ccc(Cl)cc2CC3)c1 Homo sapiens CHEMBL864402 single protein format
CHEMBL589396 OBDepict OH O O N H 3 C IC50 = 8.0 nM 281.31 Cc1cccc(CCc2cc(=O)oc3cc(O)ccc23)n1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL202916 OBDepict H 3 C N O N H IC50 = 8.0 nM 356.47 CC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL203947 OBDepict Br N O H 3 C IC50 = 9.0 nM 330.23 CC(=O)N1Cc2cc(Br)ccc2CCc2ccccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL204051 OBDepict H 3 C N O S Cl Cl IC50 = 10.0 nM 338.26 CC(=O)N1Cc2ccccc2CSc2cc(Cl)c(Cl)cc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL589156 OBDepict HO O O S N S IC50 = 10.0 nM 291.35 O=c1cc(CSc2nccs2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL2018138 OBDepict S O N O O O Br HO IC50 = 12.0 nM 420.24 O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc2c(c1)OCO2 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018252 OBDepict CH 3 O N S O O Cl Cl OH IC50 = 12.0 nM 396.25 COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL1934492 OBDepict CH 3 O N S O O Br HO IC50 = 13.0 nM 406.26 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 Homo sapiens CHEMBL1937888 cell-based format
CHEMBL1934493 OBDepict CH 3 O N S S O Br HO IC50 = 14.0 nM 422.33 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cc1 Homo sapiens CHEMBL1937888 cell-based format
CHEMBL2018223 OBDepict N N S O O Br HO IC50 = 19.0 nM 401.24 N#Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018247 OBDepict CH 3 O N S O O H 3 C HO IC50 = 20.0 nM 341.39 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(C)c3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018241 OBDepict Cl N N O O O Br HO IC50 = 20.0 nM 395.6 O=C1O/C(=Cc2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)nc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL592758 OBDepict OH O O IC50 = 20.0 nM 266.3 O=c1cc(CCc2ccccc2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL2018240 OBDepict F N N O O O Br HO IC50 = 21.0 nM 379.14 O=C1O/C(=Cc2ccc(O)c(Br)c2)C(=O)N1c1ccc(F)nc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018232 OBDepict O N H N O O O Br HO IC50 = 21.0 nM 485.33 O=C(Nc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1)C1CCCCC1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018237 OBDepict O O N O N Br HO IC50 = 22.0 nM 361.15 O=C1O/C(=Cc2ccc(O)c(Br)c2)C(=O)N1c1cccnc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL1934491 OBDepict CH 3 O N O O O Br HO IC50 = 23.0 nM 390.19 COc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL1937888 cell-based format
CHEMBL2018225 OBDepict CH 3 O O N O O O Br HO IC50 = 24.0 nM 418.2 COC(=O)c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL205373 OBDepict H 3 C N H O N O H 3 C Cl IC50 = 25.0 nM 418.92 CNC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1CC2 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018230 OBDepict O O N O N Br CH 3 CH 3 HO IC50 = 25.0 nM 403.23 CN(C)c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL590378 OBDepict HO O O S F N CH 3 IC50 = 27.0 nM 317.34 Cc1cccc(SCc2c(F)c(=O)oc3cc(O)ccc23)n1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL202967 OBDepict Cl N S O CH 3 IC50 = 30.0 nM 303.81 CC(=O)N1Cc2ccccc2CSc2ccc(Cl)cc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL592043 OBDepict OH O O F F F IC50 = 30.0 nM 320.27 O=c1oc2cc(O)ccc2c(C(F)(F)F)c1Cc1ccccc1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL3138274 OBDepict H 3 C N O OH CH 3 H H H CH 3 O IC50 = 35.0 nM 537.83 CCCC(=O)N(CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL820662 single protein format
CHEMBL2018260 OBDepict CH 3 O N S O O N Br HO IC50 = 42.0 nM 407.25 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)n3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018228 OBDepict O N N H N O O O Br HO IC50 = 42.0 nM 472.3 O=C(c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1)N1CCNCC1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL590379 OBDepict HO O O S Cl N CH 3 IC50 = 47.0 nM 333.8 Cc1cccc(SCc2c(Cl)c(=O)oc3cc(O)ccc23)n1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL206181 OBDepict Cl N O CH 3 IC50 = 50.0 nM 285.77 CC(=O)N1Cc2ccccc2CCc2ccc(Cl)cc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018226 OBDepict CH 3 NH O N O O O Br HO IC50 = 56.0 nM 417.22 CNC(=O)c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL1093485 OBDepict O CH 3 H H H CH 3 H O IC50 = 57.0 nM 394.6 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@H](OCCc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL1108829 single protein format
CHEMBL3137852 OBDepict O CH 3 H H H CH 3 OH IC50 = 57.0 nM 380.57 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL2018231 OBDepict CH 3 N H O N O O O Br HO IC50 = 57.0 nM 417.22 CC(=O)Nc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL3137974 OBDepict CH 3 N O OH H 3 C H H H H 3 C O IC50 = 57.0 nM 499.78 CCCCCCCCN(C[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1)C(=O)C1CC1 Homo sapiens CHEMBL820665 cell-based format
CHEMBL605407 OBDepict H 3 C O O OH IC50 = 59.0 nM 204.22 CCCc1cc(=O)oc2cc(O)ccc12 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL2018137 OBDepict CH 3 O N S O O Br HO IC50 = 60.0 nM 406.26 COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)OC1=S Homo sapiens CHEMBL2021209 cell-based format
CHEMBL3138113 OBDepict O CH 3 H H H CH 3 OH IC50 = 60.0 nM 400.65 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CCC5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL2018227 OBDepict O N CH 3 H 3 C N O O O Br HO IC50 = 65.0 nM 431.24 CN(C)C(=O)c1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL3137851 OBDepict CH 3 OH CH 3 H H H CH 3 O IC50 = 67.0 nM 332.53 CCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL871638 cell-based format
CHEMBL2018239 OBDepict CH 3 N N O O O Br HO IC50 = 67.0 nM 375.18 Cc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cn1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL383270 OBDepict Cl N O CH 3 IC50 = 70.0 nM 285.77 CC(=O)N1Cc2ccccc2CCc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL3138219 OBDepict CH 3 CH 3 OH CH 3 H H H CH 3 O IC50 = 73.0 nM 346.56 CCC(C)[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL871638 cell-based format
CHEMBL3138082 OBDepict H 3 C O CH 3 H H H CH 3 O IC50 = 73.0 nM 408.63 CO[C@]1(CCc2ccccc2)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL828612 cell-based format
CHEMBL2018236 OBDepict O O N N O Br HO IC50 = 74.0 nM 361.15 O=C1O/C(=Cc2ccc(O)c(Br)c2)C(=O)N1c1ccccn1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018132 OBDepict S S N O O Br HO IC50 = 75.0 nM 400.32 O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1C1CCOCC1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL3137980 OBDepict CH 3 N OH CH 3 H H H CH 3 O IC50 = 80.0 nM 523.85 CCCCN(CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL820662 single protein format
CHEMBL3138431 OBDepict O CH 3 H H H CH 3 OH IC50 = 81.0 nM 366.55 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL3137978 OBDepict O N HO CH 3 H H H CH 3 O IC50 = 85.0 nM 483.74 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CN(CC5CCCCC5)C(=O)C5CC5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL820662 single protein format
CHEMBL3137857 OBDepict O CH 3 H H H CH 3 OH IC50 = 87.0 nM 386.62 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CC5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL590376 OBDepict OH O O S N + N O _ O IC50 = 88.0 nM 330.32 O=c1cc(CSc2ccc([N+](=O)[O-])cn2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL2018134 OBDepict CH 3 O N S S O Br HO IC50 = 90.0 nM 436.35 COc1ccc(CN2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018245 OBDepict CH 3 O N S S O Br HO IC50 = 90.0 nM 424.34 COc1ccc(N2C(=O)C(Cc3ccc(O)c(Br)c3)SC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL2018233 OBDepict CH 3 S N O O O Br HO IC50 = 90.0 nM 406.26 CSc1ccc(N2C(=O)O/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL1934496 OBDepict CH 3 O N O S O Br HO IC50 = 90.0 nM 406.26 COc1ccc(N2C(=O)S/C(=Cc3ccc(O)c(Br)c3)C2=O)cc1 Homo sapiens CHEMBL1937888 cell-based format
CHEMBL2018243 OBDepict H 3 C O N S S O CH 3 Br OH IC50 = 90.0 nM 436.35 COc1ccc(N2C(=O)/C(=C(/C)c3ccc(O)c(Br)c3)SC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL203237 OBDepict F S N O CH 3 IC50 = 90.0 nM 287.36 CC(=O)N1Cc2ccccc2CSc2cc(F)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL206768 OBDepict H 3 C N O IC50 = 90.0 nM 251.33 CC(=O)N1Cc2ccccc2CCc2ccccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL2018259 OBDepict CH 3 O N S O O N HO IC50 = 90.0 nM 328.35 COc1ccc(N2C(=O)/C(=C/c3ccc(O)cn3)OC2=S)cc1 Homo sapiens CHEMBL2021209 cell-based format
CHEMBL601700 OBDepict OH O O S N N H 3 C IC50 = 91.0 nM 288.33 Cn1ccnc1SCc1cc(=O)oc2cc(O)ccc12 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL605082 OBDepict OH O O S IC50 = 93.0 nM 284.34 O=c1cc(CSc2ccccc2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL590131 OBDepict HO O O S HN S IC50 = 96.0 nM 295.39 O=c1cc(CSC2NCCS2)c2ccc(O)cc2o1 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL3138210 OBDepict O CH 3 H H H CH 3 OH IC50 = 97.0 nM 372.59 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(C5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL3137845 OBDepict O CH 3 H H H CH 3 OH IC50 = 99.0 nM 394.6 C[C@]12CC[C@H]3[C@@H](CCC4C[C@@](O)(CCc5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O Homo sapiens CHEMBL871638 cell-based format
CHEMBL387599 OBDepict CH 3 O O CH 3 O H 3 C O O O H 3 C O H 3 C H 3 C IC50 = 100.0 nM 454.52 COc1cc(/C=C2CCC/C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Homo sapiens CHEMBL1108828 microsome format
CHEMBL3137856 OBDepict CH 3 OH CH 3 H H H CH 3 O IC50 = 100.0 nM 374.61 CCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL871638 cell-based format
CHEMBL206535 OBDepict Cl S N O CH 3 IC50 = 100.0 nM 303.81 CC(=O)N1Cc2ccccc2CSc2cc(Cl)ccc21 Homo sapiens CHEMBL864402 single protein format
CHEMBL589883 OBDepict OH O CH 3 O Cl IC50 = 100.0 nM 210.62 Cc1c(Cl)c(=O)oc2cc(O)ccc12 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL600114 OBDepict H 3 C O O OH IC50 = 100.0 nM 190.2 CCc1cc(=O)oc2cc(O)ccc12 Homo sapiens CHEMBL1068436 cell-based format
CHEMBL3138330 OBDepict CH 3 OH CH 3 H H H CH 3 O IC50 = 116.0 nM 346.56 CCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL828612 cell-based format
CHEMBL2018128 OBDepict H 2 C N S S O Br HO IC50 = 120.0 nM 356.27 C=CCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S Homo sapiens CHEMBL2021209 cell-based format