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P08842 | STS_HUMAN | Steryl-sulfatase (STS)

3D structures mapped by conservation among orthologs

[ Domain: "Alkaline phosphatase-like" // Sulfatase ]

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[ Alpha Fold Model ] (go)


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
CHEMBL3805209 OBDepict CH 3 O O S H O O H 2 N H H CH 3 OH IC50 = 0.024 nM 471.62 COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccccc1 Homo sapiens CHEMBL3807725 cell-based format
CHEMBL3622029 OBDepict O N H O CH 3 H H F F F O S O O H 2 N IC50 = 0.035 nM 474.5 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(CCC(F)(F)F)C2=O Homo sapiens CHEMBL3627322 cell-based format
CHEMBL4643348 OBDepict CH 3 O O S H O O H 2 N H H CH 3 OH CH 3 CH 3 H 3 C IC50 = 0.04 nM 527.73 COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CCC2(C)[C@H]1CC[C@@]2(O)Cc1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL4628525 cell-based format
CHEMBL3806018 OBDepict CH 3 O O S H O O H 2 N H H CH 3 OH CH 3 CH 3 H 3 C IC50 = 0.04 nM 527.73 COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL3807725 cell-based format
CHEMBL2011422 OBDepict O CH 3 H H H F F O S O O H 2 N IC50 = 0.1 nM 399.46 C[C@]12CC[C@@H]3c4cc(C(F)F)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL1672979 OBDepict N N N N N Br O S O O H 2 N IC50 = 0.13 nM 525.39 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681079 cell-based format
CHEMBL1627465 OBDepict NH 2 S O O O H H H CH 3 HO H 3 C CH 3 H 3 C IC50 = 0.15 nM 497.7 CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL810263 cell-based format
CHEMBL262050 OBDepict O S O S O O NH 2 IC50 = 0.34 nM 391.51 NS(=O)(=O)Oc1ccc2sc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 Homo sapiens CHEMBL811392 single protein format
CHEMBL1627878 OBDepict NH 2 S O O O H H H CH 3 OH IC50 = 0.39 nM 441.59 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1 Homo sapiens CHEMBL810263 cell-based format
CHEMBL4456330 OBDepict H 3 C HO CH 3 H 3 C CH 3 O S O O NH 2 IC50 = 0.4 nM 475.7 CCCCCCC(O)(CCCCc1ccc(OS(N)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL4399039 cell-based format
CHEMBL3806300 OBDepict H 3 C HO H 3 C H 3 C CH 3 O S O O NH 2 IC50 = 0.4 nM 489.72 CCCCCCC(O)(CCCCc1ccc(OS(N)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL3808045 cell-based format
CHEMBL4520442 OBDepict H 3 C O O H 3 C O S O O NH 2 IC50 = 0.68 nM 339.41 CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O Homo sapiens CHEMBL4399019 cell-based format
CHEMBL2011408 OBDepict O H 3 C H H H + N O O _ O S O O NH 2 IC50 = 0.8 nM 394.45 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL1672978 OBDepict N N N N N Cl O S O O H 2 N IC50 = 0.83 nM 480.94 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681079 cell-based format
CHEMBL1235380 OBDepict O N H O CH 3 H H N O S O O H 2 N IC50 = 1.0 nM 469.56 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(Cc1cccnc1)C2=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL3827021 OBDepict O O O S O O NH 2 IC50 = 1.0 nM 381.49 NS(=O)(=O)Oc1ccc2c(c1)OC(=O)C1CCCCCCCCCCC21 Homo sapiens CHEMBL3830771 assay format
CHEMBL4517286 OBDepict O N CH 3 O H H N H O S O O H 2 N IC50 = 1.0 nM 455.54 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1C(=O)N(Cc1cccnc1)C2=O Homo sapiens CHEMBL4399014 single protein format
CHEMBL4436186 OBDepict CH 3 N O O CH 3 H H H O S O O H 2 N IC50 = 1.0 nM 406.5 CCCN1C(=O)[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O Homo sapiens CHEMBL4399014 single protein format
CHEMBL3622021 OBDepict CH 3 N O O H 3 C H H H O S O O NH 2 IC50 = 1.0 nM 420.53 CCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL3622012 OBDepict O O O S O O NH 2 IC50 = 1.0 nM 351.42 NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCC3 Homo sapiens CHEMBL3627246 assay format
CHEMBL4459312 OBDepict O O CH 3 O S O O H 2 N IC50 = 1.0 nM 345.38 Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 Homo sapiens CHEMBL4399019 cell-based format
CHEMBL364332 OBDepict O CH 3 H H H Br O S O O H 2 N IC50 = 1.65 nM 428.35 C[C@]12CC[C@@H]3c4cc(Br)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL3797224 OBDepict O HN O S O O NH 2 IC50 = 1.7 nM 298.36 NS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 Homo sapiens CHEMBL3802439 cell-based format
CHEMBL1672977 OBDepict N N N N N F O S O O H 2 N IC50 = 2.3 nM 464.48 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(F)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681079 cell-based format
CHEMBL3622011 OBDepict O O O S O O NH 2 IC50 = 2.4 nM 337.4 NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCC3 Homo sapiens CHEMBL3627246 assay format
CHEMBL4442535 OBDepict O O O S O O NH 2 IC50 = 2.4 nM 339.41 NS(=O)(=O)Oc1ccc2c(c1)OC(=O)C1CCCCCCCC21 Homo sapiens CHEMBL4399014 single protein format
CHEMBL3623232 OBDepict N N N N F O S O O H 2 N IC50 = 2.5 nM 387.4 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2ccnc2)cc1 Homo sapiens CHEMBL3624604 cell-based format
CHEMBL4465348 OBDepict N N N N N F O S O O H 2 N IC50 = 2.5 nM 388.38 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2cnnc2)cc1 Homo sapiens CHEMBL4398437 single protein format
CHEMBL3622027 OBDepict O N H O CH 3 H H O S O O H 2 N IC50 = 3.0 nM 468.58 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(Cc1ccccc1)C2=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL2011415 OBDepict O CH 3 H H H Cl O S O O H 2 N IC50 = 3.4 nM 383.9 C[C@]12CC[C@@H]3c4cc(Cl)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL3910182 OBDepict CH 3 O N N N O O S O O NH 2 IC50 = 3.9 nM 572.69 COc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(OS(N)(=O)=O)cc4C3)cc2)Cc2ccccn2)cc1 Homo sapiens CHEMBL3856385 cell-based format
CHEMBL3612355 OBDepict H 3 C N H 3 C O CH 3 H 3 C CH 3 H H H O S O O H 2 N IC50 = 4.0 nM 460.64 CC(C)N(C(=O)C1=CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C)C(C)C Homo sapiens CHEMBL3615817 cell-based format
CHEMBL4461896 OBDepict Cl N N N H O F O S O O NH 2 IC50 = 5.1 nM 428.87 NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1F Homo sapiens CHEMBL4408438 single protein format
CHEMBL2011416 OBDepict N O S H O O H 2 N H H CH 3 O IC50 = 5.2 nM 374.46 C[C@]12CC[C@@H]3c4cc(C#N)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL592131 OBDepict N N Cl N O N S O O H 2 N IC50 = 5.5 nM 389.82 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(OS(N)(=O)=O)c(Cl)c1 Homo sapiens CHEMBL1067559 cell-based format
CHEMBL147705 OBDepict O O O S O O NH 2 IC50 = 5.6 nM 375.45 NS(=O)(=O)Oc1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 Homo sapiens CHEMBL811393 single protein format
CHEMBL137217 OBDepict O S CH 3 CH 3 H 3 C O S O O NH 2 IC50 = 5.6 nM 313.4 CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2s1 Homo sapiens CHEMBL811392 single protein format
CHEMBL2011414 OBDepict O CH 3 H H H F O S O O H 2 N IC50 = 5.6 nM 367.44 C[C@]12CC[C@@H]3c4cc(F)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL341736 OBDepict O O O S O O NH 2 IC50 = 5.6 nM 375.45 NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC(C4)CC3C5)cc(=O)c2c1 Homo sapiens CHEMBL811392 single protein format
CHEMBL364745 OBDepict O CH 3 H H H I O S O O H 2 N IC50 = 6.1 nM 475.35 C[C@]12CC[C@@H]3c4cc(I)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O Homo sapiens CHEMBL2013286 microsome format
CHEMBL3612354 OBDepict OH O O S O O NH 2 IC50 = 8.0 nM 311.36 NS(=O)(=O)Oc1ccc2c(c1)OC(O)C1=C2CCCCC1 Homo sapiens CHEMBL3615816 assay format
CHEMBL3600586 OBDepict _ O + N O HO H H H CH 3 H N H S O O CH 3 CH 3 H 3 C IC50 = 8.0 nM 512.67 CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CC[C@H]3[C@@H]4CCc5c(ccc(O)c5[N+](=O)[O-])[C@H]4CC[C@]23C)cc1 Homo sapiens CHEMBL3602391 single protein format
CHEMBL3098847 OBDepict O O O S O O NH 2 IC50 = 8.0 nM 311.36 NS(=O)(=O)Oc1ccc2c(c1)OC(=O)C1CCCCCC21 Homo sapiens CHEMBL3627246 assay format
CHEMBL518966 OBDepict HO H H H CH 3 OH CH 3 CH 3 H 3 C IC50 = 8.3 nM 418.62 CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL810263 cell-based format
CHEMBL4554860 OBDepict H 3 C N N N H O F O S O O H 2 N IC50 = 8.8 nM 430.55 CCCCCCCCN1CCN(C(=O)Nc2ccc(OS(N)(=O)=O)c(F)c2)CC1 Homo sapiens CHEMBL4408438 single protein format
CHEMBL3953180 OBDepict CH 3 S N O N O O S O O NH 2 IC50 = 8.9 nM 551.69 Cc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(OS(N)(=O)=O)cc4C3)cc2)Cc2ccco2)s1 Homo sapiens CHEMBL3856385 cell-based format
CHEMBL3805984 OBDepict O CH 3 H H H NH O S O O IC50 = 9.0 nM 361.46 C[C@]12CC[C@@H]3c4cc5c(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)NC5 Homo sapiens CHEMBL3807724 cell-based format
CHEMBL1945904 OBDepict OH H H H H 3 C H HN S O O IC50 = 9.0 nM 487.67 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL3622030 OBDepict H 3 C H 3 C O O S S O O H 2 N O O NH 2 IC50 = 10.0 nM 426.52 CC/C(=C(/CC)c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1 Homo sapiens CHEMBL3627244 cell-based format
CHEMBL435988 OBDepict CH 3 O O O S O O H 2 N IC50 = 11.0 nM 419.54 CCCCCC12CCC(c3cc(=O)c4cc(OS(N)(=O)=O)ccc4o3)(CC1)CC2 Homo sapiens CHEMBL811392 single protein format
CHEMBL137479 OBDepict O O O S O O NH 2 IC50 = 11.0 nM 361.42 NS(=O)(=O)Oc1ccc2oc(C3C4CC5CC3CC5C4)cc(=O)c2c1 Homo sapiens CHEMBL811392 single protein format
CHEMBL359199 OBDepict CH 3 O O O S O O NH 2 IC50 = 11.0 nM 419.54 CCCCCC12CCC(CC1)C(c1cc(=O)c3cc(OS(N)(=O)=O)ccc3o1)C2 Homo sapiens CHEMBL811393 single protein format
CHEMBL3600585 OBDepict _ O + N O OH H H H H 3 C H HN S O O F F F IC50 = 11.0 nM 524.56 C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3602391 single protein format
CHEMBL178944 OBDepict O HN S O O Cl S Br Cl N O O CH 3 CH 3 H 3 C Ki = 12.0 nM 522.27 CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1 Homo sapiens CHEMBL838513 single protein format
CHEMBL3622024 OBDepict Br N O O CH 3 H H H O S O O H 2 N IC50 = 12.0 nM 513.45 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(CCCCBr)C2=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL3600584 OBDepict Br S N H O O H CH 3 H H H + N HO O _ O IC50 = 12.0 nM 535.46 C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 Homo sapiens CHEMBL3602391 single protein format
CHEMBL3622019 OBDepict O N CH 3 H O CH 3 H H O S O O H 2 N IC50 = 12.0 nM 392.48 CN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL3622013 OBDepict O O O S O O NH 2 IC50 = 13.0 nM 365.45 NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCC3 Homo sapiens CHEMBL3627246 assay format
CHEMBL3805967 OBDepict NH 2 S O O O CH 3 H H H CH 3 HO H 3 C CH 3 H 3 C IC50 = 14.0 nM 515.76 CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CC=C5CC(OS(N)(=O)=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL3807723 cell-based format
CHEMBL219321 OBDepict NH 2 S O O O H H H CH 3 H HO IC50 = 16.0 nM 351.47 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL910729 microsome format
CHEMBL592320 OBDepict N N O S O O H 2 N IC50 = 16.3 nM 299.31 N#Cc1ccc(-c2ccc(OS(N)(=O)=O)cc2)c(C#N)c1 Homo sapiens CHEMBL1067559 cell-based format
CHEMBL3981927 OBDepict O N O N S O O NH 2 O N IC50 = 16.6 nM 532.62 NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(CN(Cc3ccccn3)Cc3ccco3)cc1)CC2 Homo sapiens CHEMBL3856385 cell-based format
CHEMBL1672976 OBDepict N N N N N O S O O H 2 N IC50 = 17.0 nM 446.49 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681079 cell-based format
CHEMBL4450604 OBDepict O N NH N Cl O CH 3 S CH 3 O O H 2 N IC50 = 17.0 nM 438.94 Cc1cccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)c(Cl)c3)CC2)c1C Homo sapiens CHEMBL4408438 single protein format
CHEMBL1945903 OBDepict HO H H H CH 3 H N H S O O CH 3 CH 3 H 3 C IC50 = 18.0 nM 467.68 CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL221802 OBDepict NH 2 S O O O H H H H 3 C H O S O O H 2 N IC50 = 18.0 nM 430.55 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O Homo sapiens CHEMBL910729 microsome format
CHEMBL4531739 OBDepict H 3 C N N N H O Cl O S O O H 2 N IC50 = 18.9 nM 447.0 CCCCCCCCN1CCN(C(=O)Nc2ccc(OS(N)(=O)=O)c(Cl)c2)CC1 Homo sapiens CHEMBL4408438 single protein format
CHEMBL4064200 OBDepict Cl O S S O O NH 2 O F F HO IC50 = 19.4 nM 445.85 NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c(Cl)c1 Homo sapiens CHEMBL4051802 assay format
CHEMBL4091943 OBDepict F O S S O O NH 2 O F F HO IC50 = 19.5 nM 429.4 NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c(F)c1 Homo sapiens CHEMBL4051802 assay format
CHEMBL1945906 OBDepict OH H H H H 3 C H HN S O O IC50 = 20.0 nM 461.63 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL322322 OBDepict N N N N N Cl O S O O H 2 N IC50 = 20.0 nM 404.84 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1 Homo sapiens CHEMBL812969 assay format
CHEMBL3622018 OBDepict O HN O H CH 3 H H O S O O H 2 N IC50 = 20.0 nM 378.45 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)NC2=O Homo sapiens CHEMBL3627275 microsome format
CHEMBL3805064 OBDepict HO H H H CH 3 OH F F F IC50 = 21.0 nM 506.61 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL3807723 cell-based format
CHEMBL1627617 OBDepict HO H H H CH 3 OH O IC50 = 22.0 nM 468.64 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL814254 cell-based format
CHEMBL1672980 OBDepict N N N O N N CH 3 O S O O NH 2 IC50 = 22.0 nM 476.52 COc1ccc(-c2cc(N(Cc3ccc(OS(N)(=O)=O)cc3)n3cnnc3)ccc2C#N)cc1 Homo sapiens CHEMBL1681079 cell-based format
CHEMBL137392 OBDepict O O CH 3 CH 3 H 3 C O S O O NH 2 IC50 = 22.0 nM 297.33 CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Homo sapiens CHEMBL811392 single protein format
CHEMBL1947221 OBDepict OH H H H H 3 C H HN S O O F F F IC50 = 23.0 nM 479.56 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL3622026 OBDepict O N H O CH 3 H H CH 3 CH 3 CH 3 O S O O NH 2 IC50 = 23.0 nM 524.68 CC(C)(C)c1ccc(CN2C(=O)C[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 Homo sapiens CHEMBL3627275 microsome format
CHEMBL1627429 OBDepict HO H H H CH 3 OH Br IC50 = 24.0 nM 441.41 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Br)c1 Homo sapiens CHEMBL814254 cell-based format
CHEMBL1627626 OBDepict CH 3 OH CH 3 H H H HO IC50 = 25.0 nM 418.62 CCCCc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL814254 cell-based format
CHEMBL1945908 OBDepict OH H H H H 3 C H HN S O O Br IC50 = 25.0 nM 490.46 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL4637433 OBDepict O HN Cl O S O O NH 2 IC50 = 25.8 nM 384.88 NS(=O)(=O)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Cl Homo sapiens CHEMBL4617987 cell-based format
CHEMBL178944 OBDepict O HN S O O Cl S Br Cl N O O CH 3 CH 3 H 3 C IC50 = 26.0 nM 522.27 CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1 Homo sapiens CHEMBL877010 single protein format
CHEMBL1945900 OBDepict CH 3 S N H O O H CH 3 H H H HO IC50 = 26.0 nM 467.68 CCCCc1ccc(S(=O)(=O)N[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 Homo sapiens CHEMBL1948909 single protein format
CHEMBL3622063 OBDepict N N N N N Cl O S O O H 2 N IC50 = 26.0 nM 454.9 N#Cc1ccc(N(Cc2ccc3c(Cl)c(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1 Homo sapiens CHEMBL3627340 cell-based format
CHEMBL609618 OBDepict N N N N O S O O NH 2 IC50 = 28.6 nM 355.38 N#Cc1cc(Cn2cncn2)ccc1-c1ccc(OS(N)(=O)=O)cc1 Homo sapiens CHEMBL1067559 cell-based format
CHEMBL598211 OBDepict N N N Cl N O S O O NH 2 IC50 = 29.0 nM 389.82 N#Cc1cc(Cn2cncn2)ccc1-c1ccc(OS(N)(=O)=O)c(Cl)c1 Homo sapiens CHEMBL1067559 cell-based format
CHEMBL1835544 OBDepict HO F H H H CH 3 OH Ki = 30.0 nM 380.5 C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1 Homo sapiens CHEMBL1839049 single protein format
CHEMBL3622010 OBDepict O O O S O O NH 2 IC50 = 30.0 nM 323.37 NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCC3 Homo sapiens CHEMBL3627246 assay format
CHEMBL3804911 OBDepict CH 3 O O CH 3 OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 501.65 COc1cc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc(OC)c1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL275331 OBDepict O O CH 3 CH 3 O S O O H 2 N IC50 = 30.0 nM 269.28 Cc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O Homo sapiens CHEMBL3627244 cell-based format
CHEMBL3805071 OBDepict CH 3 O O CH 3 O OH CH 3 CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 531.67 COc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)c(OC)c1OC Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3805090 OBDepict CH 3 OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 455.62 Cc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3806175 OBDepict NH 2 S O O O H H H H 3 C HO O IC50 = 30.0 nM 533.69 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Oc2ccccc2)c1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3806272 OBDepict CH 3 O OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 471.62 COc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3805387 OBDepict NH 2 S O O O H H H H 3 C HO O IC50 = 30.0 nM 547.72 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3805959 OBDepict CH 3 O OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 471.62 COc1cccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)c1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3805117 OBDepict NH 2 S O O O H H H H 3 C HO IC50 = 30.0 nM 517.69 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3806025 OBDepict CH 3 CH 3 OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 469.65 Cc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1C Homo sapiens CHEMBL3807716 cell-based format
CHEMBL3806088 OBDepict OH OH CH 3 H H H O S O O H 2 N IC50 = 30.0 nM 457.59 C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(O)cc1 Homo sapiens CHEMBL3807716 cell-based format