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P25774 | CATS_HUMAN | Cathepsin S (CTSS)

3D structures mapped by conservation among orthologs

[ Domain: "Cysteine proteinases" // Peptidase_C1 ]

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[ Domain: "Peptidase inhibitors family I29" // Inhibitor_I29 ]

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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
CHEMBL30401 OBDepict O NH O H N H O H O NH H O IC50 = 0.0 nM 459.5 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]1Oc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL658339 single protein format
CHEMBL3651506 OBDepict N N N N N H O H S O O F F F F F F IC50 = 0.029 nM 583.51 N#Cc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651502 OBDepict N N N N F F F H S O O Cl N N IC50 = 0.052 nM 482.88 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(-n4cccn4)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651503 OBDepict N N N N F F F H S O O Cl N N IC50 = 0.056 nM 541.0 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(N4CCN(C5CC5)CC4)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651507 OBDepict N N N N HN O H S O O F F F H 3 C Cl IC50 = 0.056 nM 578.02 CC(CNC(=O)c1cnc(C#N)nc1N1CC[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)C1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651508 OBDepict N N N N N H O H S O O F F F F F F IC50 = 0.061 nM 507.42 N#Cc1ncc(C(=O)NCC(F)(F)F)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL4777335 OBDepict N NH O N H H S N O O N N O CH 3 CH 3 CH 3 Ki = 0.09 nM 476.6 CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(c2ccccn2)CC1)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL4670312 cell-based format
CHEMBL486232 OBDepict H 3 C CH 3 N H H NH O N O H S O O O Ki < 0.1 nM 527.69 CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL959580 single protein format
CHEMBL3651509 OBDepict N N N N F F F H S O O Cl N N IC50 = 0.11 nM 482.88 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(-n4ccnc4)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3342185 OBDepict N N HN N O O O CH 3 CH 3 CH 3 Ki = 0.13 nM 394.48 CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL3382370 single protein format
CHEMBL3651505 OBDepict H 3 C O O Cl S O O H N N N N F F F IC50 = 0.13 nM 490.89 COCCOc1ccc(S(=O)(=O)[C@H]2CCN(c3cc(C(F)(F)F)nc(C#N)n3)C2)c(Cl)c1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL386506 OBDepict N N N N H NH O IC50 = 0.13 nM 349.44 N#Cc1ncc(C(=O)NCCc2ccccc2)c(NC2CCCCC2)n1 Homo sapiens CHEMBL911397 single protein format
CHEMBL1651361 OBDepict N N N CH 3 CH 3 O N H H O CH 3 H 3 C N N O S Ki = 0.15 nM 452.54 CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL3651499 OBDepict N N N N F F F H S O O Cl N N H 3 C CH 3 H 3 C IC50 = 0.15 nM 557.04 CC(C)(C)N1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4cc(C(F)(F)F)nc(C#N)n4)C3)c(Cl)c2)CC1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651510 OBDepict N N N N N H O H S O O Cl Cl F F F IC50 = 0.155 nM 584.41 N#Cc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(N2CC[C@H](S(=O)(=O)c3cccc(Cl)c3Cl)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL1651355 OBDepict N N N CH 3 CH 3 O NH H NH O H 3 C H 3 C Ki = 0.16 nM 317.39 CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL1651357 OBDepict N N N CH 3 H 3 C O HN H HN O CH 3 CH 3 N N O S Ki = 0.16 nM 481.58 CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL3651495 OBDepict N N N N F F F H S O O F F F IC50 = 0.167 nM 450.36 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL1651356 OBDepict N N N H 3 C CH 3 O NH H NH O H 3 C H 3 C N N O CH 3 Ki = 0.17 nM 413.48 Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655226 single protein format
CHEMBL3342184 OBDepict N N HN N O O O H 3 C CH 3 CH 3 CH 3 Ki = 0.176 nM 318.38 CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3382370 single protein format
CHEMBL1651349 OBDepict N N N CH 3 H 3 C O HN H N H O H 3 C CH 3 N N O CH 3 Ki = 0.19 nM 399.46 Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655226 single protein format
CHEMBL1651354 OBDepict N N N H 3 C H 3 C O N H H HN O H 3 C CH 3 Ki = 0.2 nM 331.42 CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL4777740 OBDepict N N H O N H H S N O O N N O S Ki = 0.2 nM 502.62 N#CC1(NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)NC(=O)Cc2cccs2)CC1 Homo sapiens CHEMBL4670312 cell-based format
CHEMBL251117 OBDepict N HN O N H H S H O O Cl Cl F F F F IC50 = 0.2 nM 538.35 N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL251719 OBDepict N HN O N H H S H O O Br F F F IC50 = 0.2 nM 530.37 N#CC1(NC(=O)[C@H](CS(=O)(=O)c2cccc(Br)c2)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL443319 OBDepict N HN O N H H S H O O Cl Cl F F F IC50 = 0.2 nM 520.36 N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL1651352 OBDepict N N N CH 3 CH 3 O N H H O O Ki = 0.2 nM 372.47 CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655226 single protein format
CHEMBL3651493 OBDepict N N N N H S O O F F F IC50 = 0.205 nM 422.43 N#Cc1nc2c(c(N3CC[C@H](S(=O)(=O)c4ccccc4C(F)(F)F)C3)n1)CCC2 Homo sapiens CHEMBL3705320 single protein format
CHEMBL385632 OBDepict N N N HN N H O O H 3 C IC50 = 0.23 nM 379.46 COc1cccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)c1 Homo sapiens CHEMBL911397 single protein format
CHEMBL4761229 OBDepict N N H O N H H S N O O N N N Ki = 0.25 nM 455.54 N#CC1(NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)Nc2cccnc2)CC1 Homo sapiens CHEMBL4670312 cell-based format
CHEMBL271004 OBDepict H 3 C N H H O N O O N O NH H O O O H 3 C H 3 C Ki < 0.25 nM 524.57 CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 Homo sapiens CHEMBL949948 single protein format
CHEMBL3640716 OBDepict N N H O NH H F F N O Ki = 0.3 nM 430.5 N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CC2)CC3)CC1 Homo sapiens CHEMBL3707967 single protein format
CHEMBL400750 OBDepict N NH O N H H S H O O F F F F F F IC50 = 0.3 nM 519.47 N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2cccc(F)c2F)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL250720 OBDepict N HN O N H H S H O O Br F F F IC50 = 0.3 nM 530.37 N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(Br)cc2)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL398553 OBDepict N NH O N H H S H O O F F F F F IC50 = 0.3 nM 501.48 N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2cccc(F)c2F)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL3701872 OBDepict N HN O H N H S O O O Cl N S IC50 = 0.3 nM 523.08 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(N3CCSCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3701887 OBDepict N HN O H N H S O O O Cl N IC50 = 0.3 nM 505.04 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3cccc(Cl)c3)CN2C(=O)C2(N3CCCCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3093935 OBDepict N NH O H N H S O O O Cl IC50 = 0.3 nM 463.99 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2CCCCC2)CC1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL3651511 OBDepict N N N N N H O H S O O F F F Cl IC50 = 0.305 nM 590.03 N#Cc1ncc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651473 OBDepict N N N N H S O O F F F IC50 = 0.31 nM 382.37 N#Cc1nccc(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL1651350 OBDepict N N N H 3 C CH 3 O N H H N H O H 3 C CH 3 N N O S Ki = 0.32 nM 467.56 CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL3651541 OBDepict N N N N HN O H S O O Cl Cl F F F IC50 = 0.32 nM 508.31 N#Cc1ncc(C(=O)NCC(F)(F)F)c(N2CC[C@H](S(=O)(=O)c3cccc(Cl)c3Cl)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL608115 OBDepict N N N H 3 C H 3 C O N H H O O H 3 C CH 3 Ki = 0.33 nM 332.4 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655226 single protein format
CHEMBL3651497 OBDepict N N N N F F F H S O O Cl F IC50 = 0.335 nM 434.8 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651500 OBDepict N N N N F F F H S O O Cl N N H IC50 = 0.355 nM 541.0 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(N4CCN5CCC[C@H]5C4)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL4114586 OBDepict CH 3 O Cl S O O H N H O N H O N F N Cl IC50 = 0.393 nM 581.45 COc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ncc(Cl)cc4F)CC3)C2)c(Cl)c1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL4109015 OBDepict N HN O H N H S O O O Cl N F Cl IC50 = 0.398 nM 551.43 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL3648414 OBDepict O NH H N H N O N H H CH 3 H Cl O H O Ki = 0.4 nM 484.98 C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 Homo sapiens CHEMBL3705082 single protein format
CHEMBL399063 OBDepict N NH O N H H S H O O CH 3 H 3 C F F F F IC50 = 0.4 nM 449.47 CC(C)CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL1807651 OBDepict O N H HN H H CH 3 O O O N H H 3 C S O O N IC50 < 0.4 nM 530.65 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL3093822 OBDepict N N H O H H H S N O O O H CH 3 O H CH 3 IC50 = 0.4 nM 459.57 C[C@H]1CN(C(=O)[C@@H]2C[C@H](S(=O)(=O)c3ccccc3)C[C@H]2C(=O)NC2(C#N)CC2)C[C@@H](C)O1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL1807652 OBDepict O N H N H H H CH 3 O O O N H H 3 C S O O N IC50 < 0.4 nM 544.67 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL3701886 OBDepict N N H O H N H S O O O Cl F N IC50 = 0.4 nM 523.03 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(F)cc3Cl)CN2C(=O)C2(N3CCCCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL251114 OBDepict N HN O N H H S H O O F F F F F IC50 = 0.4 nM 487.45 N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL1807648 OBDepict O N H N H H H O O O N H H 3 C S O O N IC50 < 0.4 nM 544.67 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL3701890 OBDepict N N H O H N H S O O O F F F N IC50 = 0.4 nM 538.59 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3cccc(C(F)(F)F)c3)CN2C(=O)C2(N3CCCCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3701888 OBDepict N HN O H N H S O O O CH 3 N IC50 = 0.4 nM 484.62 Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(N4CCCCC4)CC3)C2)cc1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3701871 OBDepict N N H O H N H S O O O Cl N H 3 C IC50 = 0.4 nM 519.07 CC1CCCN(C2(C(=O)N3C[C@H](S(=O)(=O)c4ccccc4Cl)C[C@H]3C(=O)NC3(C#N)CC3)CC2)C1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3651498 OBDepict N N N N F F F H S O O Cl N N H 3 C IC50 = 0.415 nM 514.96 CN1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4cc(C(F)(F)F)nc(C#N)n4)C3)c(Cl)c2)CC1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL4110952 OBDepict N HN O H N H S O O O Cl N F Br IC50 = 0.438 nM 595.88 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ncc(Br)cc3F)CC2)CC1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL219536 OBDepict N N N HN N H O N N H 3 C IC50 = 0.48 nM 447.59 CN1CCN(c2ccc(CCNC(=O)c3cnc(C#N)nc3NC3CCCCC3)cc2)CC1 Homo sapiens CHEMBL911397 single protein format
CHEMBL4115025 OBDepict N HN O H N H S O O O Cl N Cl IC50 = 0.492 nM 533.44 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ccc(Cl)cn3)CC2)CC1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL3640728 OBDepict CH 3 F F N H H HN O N O N Ki = 0.5 nM 382.46 CCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL3707967 single protein format
CHEMBL251327 OBDepict N NH O N H H S H O O F F F F IC50 = 0.5 nM 447.45 N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL3701882 OBDepict N N H O H N H S O O O Cl N CH 3 IC50 = 0.5 nM 519.07 CC1CCN(C2(C(=O)N3C[C@H](S(=O)(=O)c4ccccc4Cl)C[C@H]3C(=O)NC3(C#N)CC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3701884 OBDepict N HN O H N H S O O O Cl N IC50 = 0.5 nM 519.07 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(N3CCCCCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL1807698 OBDepict H 3 C HN H HN O O H O O N H CH 3 S O O N IC50 = 0.5 nM 544.67 CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)CC2=O)CC1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL3701870 OBDepict N HN O H N H S O O O Cl N IC50 = 0.5 nM 505.04 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(N3CCCCC3)CC2)CC1 Homo sapiens CHEMBL3705395 single protein format
CHEMBL3093941 OBDepict N N H O H H H S N O O O Cl O IC50 = 0.5 nM 439.92 N#CCNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)N1CCOCC1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL1807647 OBDepict O N H N H H H O O O N H H 3 C S O O N IC50 = 0.5 nM 530.65 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL3093826 OBDepict N N H O H H H S N O O O CH 3 IC50 = 0.5 nM 443.57 CC1CCN(C(=O)[C@@H]2C[C@H](S(=O)(=O)c3ccccc3)C[C@H]2C(=O)NC2(C#N)CC2)CC1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL3651512 OBDepict N N N N NH O H S O O Cl Cl F IC50 = 0.5 nM 560.44 N#Cc1ncc(C(=O)NC2(c3ccc(F)cc3)CC2)c(N2CC[C@H](S(=O)(=O)c3cccc(Cl)c3Cl)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL400728 OBDepict N N H O HN H S H O O F F F F IC50 = 0.5 nM 483.49 N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2ccc(F)cc2)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL2207591 OBDepict H N H N N N O N NH O IC50 = 0.5 nM 432.53 N#CC1(n2cc([C@@H](NC(=O)c3ccc(NC(=O)C4CC4)cc3)C3CCCCC3)nn2)CC1 Homo sapiens CHEMBL2213246 single protein format
CHEMBL604281 OBDepict N N N CH 3 CH 3 O HN H O O Ki = 0.51 nM 366.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655226 single protein format
CHEMBL384685 OBDepict N N N N H N H O CH 3 CH 3 H 3 C O N N IC50 = 0.51 nM 447.54 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1 Homo sapiens CHEMBL911397 single protein format
CHEMBL3651496 OBDepict N N N N F F F H S O NH 2 O O F F F IC50 = 0.52 nM 493.39 N#Cc1nc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CC2C(N)=O)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651504 OBDepict N N N N F F F H S O O Cl O F F F IC50 = 0.535 nM 514.84 N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL2153161 OBDepict N N N H 3 C CH 3 O NH H S O O CH 3 CH 3 O Ki = 0.55 nM 380.47 CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL2157196 single protein format
CHEMBL3651494 OBDepict N N N N H 3 C H S O O F F F IC50 = 0.55 nM 396.39 Cc1cnc(C#N)nc1N1CC[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)C1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL1807700 OBDepict O N H HN H H N O O N H H 3 C S O O O N IC50 = 0.58 nM 549.69 C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811516 single protein format
CHEMBL515769 OBDepict CH 3 H O H HN O O N H H CH 3 O HN S O O N Ki = 0.6 nM 566.68 CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 Homo sapiens CHEMBL1030543 assay format
CHEMBL2207571 OBDepict N N CH 3 H N N HN H O S IC50 = 0.6 nM 343.46 C[C@H](C#N)n1cc([C@@H](NC(=O)c2ccsc2)C2CCCCC2)nn1 Homo sapiens CHEMBL2213246 single protein format
CHEMBL249712 OBDepict H N H NH O S O O H F F F N IC50 = 0.6 nM 429.46 N#CC1(NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c2ccccc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL2207570 OBDepict N N CH 3 H N N HN CH 3 O S IC50 = 0.6 nM 357.48 C[C@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1 Homo sapiens CHEMBL2213246 single protein format
CHEMBL4107778 OBDepict N N H O H N H S O O O Cl F F Cl IC50 = 0.602 nM 568.43 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(F)cc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3F)CC2)CC1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL4110540 OBDepict CH 3 O Cl S O O H N H O HN O N N Cl IC50 = 0.606 nM 563.46 COc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ccc(Cl)cn4)CC3)C2)c(Cl)c1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL3651481 OBDepict N N N N H S O O Br IC50 = 0.63 nM 393.27 N#Cc1nccc(N2CC[C@@H](S(=O)(=O)c3ccccc3Br)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651513 OBDepict N N N N NH O H S O O F F F F IC50 = 0.63 nM 559.55 N#Cc1ncc(C(=O)NC2(c3ccc(F)cc3)CC2)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651475 OBDepict N N N N F H S O O F F F IC50 = 0.65 nM 400.36 N#Cc1ncc(F)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651514 OBDepict N N N N NH O H S O O F F F IC50 = 0.66 nM 541.56 N#Cc1ncc(C(=O)NC2CC2c2ccccc2)c(N2CC[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C2)n1 Homo sapiens CHEMBL3705320 single protein format
CHEMBL3651485 OBDepict N N N N H H S NH O O O F F F H 3 C H F F F IC50 = 0.665 nM 521.44 C[C@H](NC(=O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccnc(C#N)n1)C(F)(F)F Homo sapiens CHEMBL3705320 single protein format
CHEMBL474458 OBDepict H 3 C H O H N H O O N H H CH 3 O HN S O O S CH 3 N H 3 C Ki = 0.7 nM 576.74 CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1 Homo sapiens CHEMBL1030543 assay format
CHEMBL4111154 OBDepict N HN O H N H S O O O F N F Cl IC50 = 0.7 nM 534.97 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3F)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1 Homo sapiens CHEMBL3888847 single protein format
CHEMBL218024 OBDepict N N N NH N H O O CH 3 IC50 = 0.7 nM 379.46 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)cc1 Homo sapiens CHEMBL911397 single protein format
CHEMBL3093947 OBDepict N N H O H H H S N O O O O IC50 = 0.7 nM 431.51 N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)CC1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL114410 OBDepict O NH O H N H O H O N H S O O IC50 = 0.7 nM 463.56 O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C(=O)N2CCS(=O)(=O)[C@@H]12)OCc1ccccc1 Homo sapiens CHEMBL659926 single protein format
CHEMBL3093940 OBDepict N N H O H H H S N O O O O IC50 = 0.7 nM 405.48 N#CCNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N1CCOCC1 Homo sapiens CHEMBL3096514 single protein format
CHEMBL427883 OBDepict H N H N H O S O O F F H F F F N F IC50 = 0.7 nM 519.47 N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2c(F)cccc2F)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Homo sapiens CHEMBL923075 single protein format
CHEMBL3651486 OBDepict N N N N H H S N O O O F F F H 3 C H 3 C IC50 = 0.73 nM 481.5 CCN(CC)C(=O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccnc(C#N)n1 Homo sapiens CHEMBL3705320 single protein format