HOME LIGAND hPROTEOME OTHERS DOCUMENT

P51878 | CASP5_HUMAN | Caspase-5 (CASP5)

3D structures mapped by conservation among orthologs



[ 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 = 0.81 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 CHEMBL832948 assay format
CHEMBL3949842 OBDepict N N N N N N Ki = 16.0 nM 406.58 c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3904435 OBDepict _ O + N O N N N N N N Ki = 24.0 nM 437.55 O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3970645 OBDepict O N N N N N N Ki = 28.0 nM 496.66 O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3965572 OBDepict N N N N N N N Ki = 34.0 nM 393.54 c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)ccn1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3941088 OBDepict CH 3 O O N CH 3 N N N N N Ki = 34.0 nM 452.6 COc1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(OC)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3932441 OBDepict N N N N N N Ki = 41.0 nM 392.55 c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3905486 OBDepict HN N N N N N Ki = 47.0 nM 302.43 c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3898411 OBDepict F F F N F F F N N N N N Ki = 48.0 nM 528.54 FC(F)(F)c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3895496 OBDepict N N N N N N N Ki = 59.0 nM 393.54 c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3978901 OBDepict N N N N N N Ki = 59.0 nM 398.6 c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3949842 OBDepict N N N N N N IC50 = 71.0 nM 406.58 c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3898379 OBDepict H 3 C O N CH 3 CH 3 CH 3 OH N N N N N Ki = 81.0 nM 520.72 Cc1c(C)c2c(c(C)c1O)CC(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)C(C)O2 Homo sapiens CHEMBL3864979 assay format
CHEMBL3984293 OBDepict _ O + N O N N N N N N Ki = 99.0 nM 437.55 O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3904435 OBDepict _ O + N O N N N N N N IC50 = 105.0 nM 437.55 O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3939229 OBDepict CH 3 O N N N N N N Ki = 111.0 nM 422.58 COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3970645 OBDepict O N N N N N N IC50 = 123.0 nM 496.66 O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3968765 OBDepict F F F N N N N N N Ki = 135.0 nM 460.55 FC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3965572 OBDepict N N N N N N N IC50 = 146.0 nM 393.54 c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)ccn1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3941088 OBDepict CH 3 O O N CH 3 N N N N N IC50 = 149.0 nM 452.6 COc1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(OC)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3932441 OBDepict N N N N N N IC50 = 178.0 nM 392.55 c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3905486 OBDepict HN N N N N N IC50 = 205.0 nM 302.43 c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3898411 OBDepict F F F N F F F N N N N N IC50 = 210.0 nM 528.54 FC(F)(F)c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3978901 OBDepict N N N N N N IC50 = 254.0 nM 398.6 c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3895496 OBDepict N N N N N N N IC50 = 254.0 nM 393.54 c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3898379 OBDepict H 3 C O N CH 3 CH 3 CH 3 OH N N N N N IC50 = 350.0 nM 520.72 Cc1c(C)c2c(c(C)c1O)CC(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)C(C)O2 Homo sapiens CHEMBL3864979 assay format
CHEMBL3984293 OBDepict _ O + N O N N N N N N IC50 = 430.0 nM 437.55 O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format
CHEMBL3939229 OBDepict CH 3 O N N N N N N IC50 = 482.0 nM 422.58 COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 Homo sapiens CHEMBL3864979 assay format
CHEMBL2323966 OBDepict OH O NH H O S H N O O CH 3 O N H H H 3 C H 3 C CH 3 O Cl H 2 N IC50 = 560.0 nM 557.07 CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O Homo sapiens CHEMBL2327250 single protein format
CHEMBL3968765 OBDepict F F F N N N N N N IC50 = 586.0 nM 460.55 FC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 Homo sapiens CHEMBL3864979 assay format