HOME LIGAND hPROTEOME OTHERS DOCUMENT

P55212 | CASP6_HUMAN | Caspase-6 (CASP6)

3D structures mapped by conservation among orthologs

[ Domain: "Caspase-like" // Peptidase_C14 ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ 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
CHEMBL179503 OBDepict CH 3 N CH 3 O HN O O OH N CH 3 O N N H CH 3 CH 3 H 3 C N O H 3 C N ClH IC50 = 3.44 nM 598.15 CCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O.Cl Homo sapiens CHEMBL832949 assay format
CHEMBL101545 OBDepict H 3 C H 3 C HN N H O O H O H OH O O O OH IC50 = 3.5 nM 486.52 CC(C)CC(NC(=O)[C@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL3917557 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl HN O Ki = 6.3 nM 544.39 C[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL382967 OBDepict HO O N H H O O O N H H 3 C H O O Cl Cl NH O Cl Ki = 7.0 nM 572.79 C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL315868 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O F F Ki = 8.0 nM 577.43 CC(C)[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL478081 OBDepict O N H H O O OH N H H H 3 C H CH 3 O NH H O NH H O HO CH 3 CH 3 O H 3 C IC50 = 8.0 nM 500.55 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL960159 single protein format
CHEMBL3983217 OBDepict OH O N H H O O O P HN CH 3 H O O HN O F Ki = 9.0 nM 583.51 C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL430648 OBDepict HO O N H H N H O O H NH H HN O CH 3 H 3 C O H 3 C O HO H HO O O IC50 = 10.0 nM 502.48 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CC(=O)OC1O)C(C)C Homo sapiens CHEMBL658657 single protein format
CHEMBL3944828 OBDepict OH O HN H O O O N H H 3 C H O O Cl Cl NH O Ki = 10.0 nM 592.43 C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL328412 OBDepict HO O N H H HN O O H N H H N H O H 3 C CH 3 O OH O CH 3 H OH O O IC50 = 10.0 nM 488.45 CC(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CC(=O)OC1O)C(C)C Homo sapiens CHEMBL658656 single protein format
CHEMBL194207 OBDepict OH O N H H O O O P HN CH 3 H O O HN O Cl Ki = 11.0 nM 599.96 C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL88795 OBDepict OH O N H H O O O P N H H O CH 3 H 3 C CH 3 O NH O Ki = 11.0 nM 581.56 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COP(C)(=O)c1ccccc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL330534 OBDepict OH O NH H O O O NH H CH 3 CH 3 F F O F F NH O Ki = 13.0 nM 595.55 CC(C)[C@H](NC(=O)C(=O)NC1CCCc2ccccc21)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL197674 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl HN O H 3 C CH 3 H 3 C Ki = 13.0 nM 594.45 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL100643 OBDepict H 3 C H 3 C HN N H O O H O H OH O O O OH IC50 = 15.0 nM 486.52 CC(C)CC(NC(=O)[C@@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL88540 OBDepict OH O NH H O O O NH H CH 3 CH 3 F F O F F NH O Ki = 16.0 nM 591.51 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3966591 OBDepict OH O N H H O O O HN H 3 C H F F O F F N H O Ki = 16.0 nM 577.49 C[C@H](NC(=O)C(=O)NCc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3934331 OBDepict F O HN O O OH HN H H 3 C H 3 C O NH O Ki = 17.0 nM 445.45 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL3881125 single protein format
CHEMBL1199647 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O N N Ki = 17.0 nM 543.43 CC(C)[C@H](NC(=O)C(=O)Nc1cnccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL23226 OBDepict F O HN O HO O HN H CH 3 H 3 C O O IC50 = 18.0 nM 382.39 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL658647 single protein format
CHEMBL3910303 OBDepict HO O N H H O O O P HN CH 3 H O O HN O Ki = 19.0 nM 593.57 C[C@H](NC(=O)C(=O)NCCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL90268 OBDepict OH O N H H O O O N H H CH 3 CH 3 O NH O Ki = 20.0 nM 569.61 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cccc2ccccc12 Homo sapiens CHEMBL3881125 single protein format
CHEMBL3928643 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl N H O Ki = 20.0 nM 552.37 C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL440211 OBDepict HO O N H H O O O HN CH 3 H F F O F F HN O F Ki = 22.0 nM 531.39 C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3968852 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl N H O Ki = 22.0 nM 596.46 C[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL3907290 OBDepict HO O N H H O O O N H H 3 C H O O Cl Cl NH O F Ki = 23.0 nM 556.33 C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL3914770 OBDepict OH O N H H O O O P HN CH 3 H O O HN O Ki = 25.0 nM 571.57 C[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL90914 OBDepict OH O HN H O O O HN H H 3 C H 3 C F F O HN O Ki = 25.0 nM 555.53 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cccc1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL92848 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O Cl Ki = 26.0 nM 575.9 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3922955 OBDepict H 3 C O O O N H H O O HO NH H H 3 C CH 3 O N H O Ki = 33.0 nM 577.63 CCCOc1ccc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL3906503 OBDepict OH O HN H O O O HN H H 3 C H 3 C O HN O HO Ki = 37.0 nM 535.55 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc(O)cc1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL90224 OBDepict O N H H O O OH NH H O H 3 C CH 3 NH IC50 = 37.0 nM 413.47 CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL658646 single protein format
CHEMBL322631 OBDepict H 3 C CH 3 N H N H O O H NH OH O O IC50 = 37.0 nM 413.47 CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL93960 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F N H O CH 3 CH 3 H 3 C Ki = 41.0 nM 597.56 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3913186 OBDepict OH O N H H O O O HN H 3 C H F O NH O Ki = 42.0 nM 535.53 C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL430839 OBDepict OH O HN H O O O HN H H 3 C H 3 C F F O HN O F Ki = 42.0 nM 573.52 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cc(F)cc1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL180263 OBDepict F O N H O O OH O H CH 3 H 3 C N H O IC50 = 50.0 nM 368.36 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL827037 single protein format
CHEMBL314733 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O F Ki = 59.0 nM 559.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL237310 OBDepict F O N H O OH O NH O HN H CH 3 H 3 C O O IC50 = 61.0 nM 487.48 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF Homo sapiens CHEMBL899136 single protein format
CHEMBL3897550 OBDepict HO O HN H O O O N H CH 3 H F F O F F N H O Ki = 68.0 nM 571.52 C[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL197242 OBDepict OH O N H H O O O N H CH 3 H F F O F F N H O Ki = 70.0 nM 527.43 C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3981787 OBDepict OH O N H H O O O HN H H 3 C CH 3 F F O F F HN O Ki = 70.0 nM 583.53 CC(C)[C@H](NC(=O)C(=O)NC1=CC2CCCC2C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3945053 OBDepict HO O N H H O O O HN CH 3 H F O HN O H 3 C CH 3 H 3 C Ki = 71.0 nM 515.54 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL3947447 OBDepict OH O NH H O O O N H CH 3 H F F O F F HN O Ki = 72.0 nM 567.49 C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL90589 OBDepict H 3 C O HN O HN O H N H O CH 3 CH 3 H O O O HO F F F F Ki = 88.0 nM 571.48 COc1ccccc1NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C Homo sapiens CHEMBL3881125 single protein format
CHEMBL91305 OBDepict OH O HN H O O O HN H N H 3 C H 3 C O N HN O F F F Ki = 95.0 nM 589.53 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccnc(C(F)(F)F)n1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL91236 OBDepict H 3 C O O O N O O N H H O O HO NH H H 3 C CH 3 O N H O Ki = 96.0 nM 568.54 COC(=O)c1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)no1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL327207 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O Ki = 100.0 nM 541.45 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL438969 OBDepict O NH N O O O N H O IC50 = 124.0 nM 357.37 O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863729 single protein format
CHEMBL315954 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O Ki = 125.0 nM 555.48 CC(C)[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL203709 OBDepict H 3 C O N H O HN O O O NH O IC50 = 137.0 nM 395.37 COc1ccccc1NC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863729 single protein format
CHEMBL3895160 OBDepict HO O N H H O O O N H H 3 C H O O Cl Cl NH O F Ki = 142.0 nM 556.33 C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881125 single protein format
CHEMBL523131 OBDepict N N O N S N O O S IC50 = 151.0 nM 450.55 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCSCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL327683 OBDepict HO O HN H O O O HN H CH 3 H 3 C F F O F F N H O Ki = 152.0 nM 599.58 CC(C)[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL516251 OBDepict N N O N S N O O IC50 = 156.0 nM 404.45 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL316450 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O Ki = 175.0 nM 569.51 CC(C)[C@H](NC(=O)C(=O)NCCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL490850 OBDepict N N O N S N O O S O CH 3 IC50 = 188.0 nM 480.57 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCSCC4)ccc32)cc1 Homo sapiens CHEMBL960159 single protein format
CHEMBL1199648 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O N Ki = 188.0 nM 542.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL476023 OBDepict N N O N S N O O O CH 3 IC50 = 197.0 nM 434.48 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCC4)ccc32)cc1 Homo sapiens CHEMBL960159 single protein format
CHEMBL202971 OBDepict OH O N H O O O HN O IC50 = 201.0 nM 290.23 O=C(O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863729 single protein format
CHEMBL439872 OBDepict CH 3 O O N H O O O NH O IC50 = 216.0 nM 366.33 CC(=O)OC(C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1 Homo sapiens CHEMBL863729 single protein format
CHEMBL90516 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O F Ki = 221.0 nM 559.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL490851 OBDepict N N O N S N O O S Cl Cl IC50 = 230.0 nM 519.44 N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCSCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL477047 OBDepict N N O N S N O O IC50 = 241.0 nM 418.48 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL3951248 OBDepict OH O N H H O O O N H H CH 3 H 3 C O CH 3 O O NH O Ki = 254.0 nM 551.55 Cc1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc(=O)o1 Homo sapiens CHEMBL3881125 single protein format
CHEMBL510809 OBDepict N N O N S N O O Cl Cl IC50 = 280.0 nM 473.34 N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL382481 OBDepict Cl N H O O O HN O IC50 = 283.0 nM 280.67 O=C(CCCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O Homo sapiens CHEMBL863729 single protein format
CHEMBL102901 OBDepict H 3 C CH 3 N H H N H O O H HO O O O IC50 = 305.0 nM 428.49 CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL658655 single protein format
CHEMBL101182 OBDepict CH 3 CH 3 NH HN O O H N H OH O O O IC50 = 308.0 nM 455.51 CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL3142757 OBDepict H 3 C CH 3 NH H NH O O H NH H 3 C OH O O IC50 = 310.0 nM 427.5 CC(C)C[C@H](NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL519148 OBDepict N N O N S N O O IC50 = 325.0 nM 432.51 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL477659 OBDepict N N O N S N O O O CH 3 IC50 = 358.0 nM 448.5 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 Homo sapiens CHEMBL960159 single protein format
CHEMBL376760 OBDepict N N O NH S N O O H O IC50 = 407.0 nM 434.48 N#CC(C#N)=C1C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL492060 OBDepict N N O N S N O O O IC50 = 425.0 nM 434.48 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL1762357 OBDepict N N O N S N O O H O N O H 3 C IC50 = 450.0 nM 541.59 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL1764809 single protein format
CHEMBL492061 OBDepict N N O N S N O O O O CH 3 IC50 = 453.0 nM 464.5 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 Homo sapiens CHEMBL960159 single protein format
CHEMBL478694 OBDepict N N O N S N O O Cl Cl IC50 = 468.0 nM 487.37 N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL206435 OBDepict O NH O O IC50 = 474.0 nM 175.14 O=C1NC(=O)c2ccccc2C1=O Homo sapiens CHEMBL863729 single protein format
CHEMBL1762356 OBDepict F O N O N N S N O O H O N IC50 = 509.0 nM 573.61 N#CC(C#N)=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764809 single protein format
CHEMBL147642 OBDepict O HN H O O OH S N H S O O OH O OH Ki = 540.0 nM 456.45 O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1 Homo sapiens CHEMBL658649 single protein format
CHEMBL521801 OBDepict N N O N S N O O O CH 3 IC50 = 545.0 nM 462.53 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL960159 single protein format
CHEMBL492059 OBDepict N N O N S N O O Cl Cl IC50 = 568.0 nM 501.4 N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCCCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL101622 OBDepict CH 3 H 3 C N H HN O O H NH HO O O IC50 = 589.0 nM 481.59 CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL876967 single protein format
CHEMBL521972 OBDepict N N O N S N O O O Cl Cl IC50 = 591.7 nM 503.37 N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCOCC3)cc21 Homo sapiens CHEMBL960159 single protein format
CHEMBL205821 OBDepict F O N H H O O HO HN CH 3 H O HN H H 3 C H 3 C O O Ki = 594.0 nM 453.47 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF Homo sapiens CHEMBL3881125 single protein format
CHEMBL427284 OBDepict N N O N S N O O H O N O H 3 C IC50 = 610.0 nM 555.62 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL890415 single protein format
CHEMBL1199895 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O N Ki = 641.0 nM 542.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccncc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881125 single protein format
CHEMBL226881 OBDepict N N O N S N O O H O N OH IC50 = 650.0 nM 541.59 N#CC(C#N)=C1C(=O)N(Cc2ccc(O)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL390932 OBDepict N N O N H 3 C S N O O H O IC50 = 698.0 nM 448.5 CN1C(=O)C(=C(C#N)C#N)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL99681 OBDepict CH 3 H 3 C N H H N H O O H O OH O O IC50 = 717.0 nM 440.5 CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL658655 single protein format
CHEMBL427283 OBDepict N N O N S N O O H O OH IC50 = 744.0 nM 540.6 N#CC(C#N)=C1C(=O)N(Cc2ccc(O)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL1762354 OBDepict F O N O N N S N O O H O IC50 = 747.0 nM 572.62 N#CC(C#N)=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1764809 single protein format
CHEMBL1762360 OBDepict F O N O N N S N O O H O N IC50 = 770.0 nM 587.63 N#CC(C#N)=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764809 single protein format
CHEMBL226828 OBDepict N N O N S N O O H O N IC50 = 823.0 nM 525.59 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL226779 OBDepict N N O N S N O O H O IC50 = 918.0 nM 524.6 N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL890415 single protein format
CHEMBL1762358 OBDepict F O N O N N S N O O H O IC50 = 927.0 nM 586.65 N#CC(C#N)=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1764809 single protein format
CHEMBL318386 OBDepict CH 3 H 3 C N H H N H O O H O HO O O IC50 = 940.0 nM 414.46 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL658657 single protein format
CHEMBL330535 OBDepict O N H H O O OH NH H O H 3 C CH 3 O IC50 = 940.0 nM 414.46 CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL658646 single protein format
CHEMBL422849 OBDepict O N H H O O OH N H S O O OH O OH Ki = 1000.0 nM 450.43 O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 Homo sapiens CHEMBL658649 single protein format