P51878 | CASP5_HUMAN | Caspase-5 (CASP5)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00619 | CARD - Caspase recruitment domain | 62~142 | |
| PF00656 | Peptidase_C14 - Caspase domain | 192~429 |
3D structures mapped by conservation among orthologs
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL3949842 |  |
IC50 | = | 71.0 | nM | 406.58 | c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3904435 |  |
IC50 | = | 105.0 | nM | 437.55 | O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3970645 |  |
IC50 | = | 123.0 | nM | 496.66 | O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3965572 |  |
IC50 | = | 146.0 | nM | 393.54 | c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)ccn1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3941088 |  |
IC50 | = | 149.0 | nM | 452.6 | COc1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc(OC)c1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3932441 |  |
IC50 | = | 178.0 | nM | 392.55 | c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3905486 |  |
IC50 | = | 205.0 | nM | 302.43 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3898411 |  |
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 |
| CHEMBL3895496 |  |
IC50 | = | 254.0 | nM | 393.54 | c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3978901 |  |
IC50 | = | 254.0 | nM | 398.6 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3898379 |  |
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 |  |
IC50 | = | 430.0 | nM | 437.55 | O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3939229 |  |
IC50 | = | 482.0 | nM | 422.58 | COc1cccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL2323966 |  |
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 |  |
IC50 | = | 586.0 | nM | 460.55 | FC(F)(F)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL179503 |  |
IC50 | = | 810.0 | 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 | |
Ki | = | 16.0 | nM | 406.58 | c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3904435 | |
Ki | = | 24.0 | nM | 437.55 | O=[N+]([O-])c1ccccc1CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3970645 | |
Ki | = | 28.0 | nM | 496.66 | O=C(c1ccccc1)c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 | Homo sapiens | CHEMBL3864979 | assay format |
| CHEMBL3965572 | |
Ki | = | 34.0 | nM | 393.54 | c1cc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)ccn1 | Homo sapiens | CHEMBL3864979 | assay format |