| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50160976 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_454170 (CHEMBL903359) |
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| IC50 | 14±n/a nM |
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| Citation |  Isabel, E; Aspiotis, R; Black, WC; Colucci, J; Fortin, R; Giroux, A; Grimm, EL; Han, Y; Mellon, C; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Tawa, P; Vaillancourt, JP; Xanthoudakis, S; Zamboni, RJ Solid-phase analogue synthesis of caspase-3 inhibitors via palladium-catalyzed amination of 3-bromopyrazinones. Bioorg Med Chem Lett17:1671-4 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Caspase-3 |
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| Name: | Caspase-3 |
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| Synonyms: | Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein |
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| Type: | Hydrolase; heterotetramer of two heterodimers |
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| Mol. Mass.: | 31607.55 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 277 |
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| Sequence: | MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
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| BDBM50160976 |
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| n/a |
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| Name | BDBM50160976 |
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| Synonyms: | (3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiazol-3-yl)methylamino)-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid | (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-7-phenyl-heptanoic acid | CHEMBL180623 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H38N6O6 |
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| Mol. Mass. | 566.6486 |
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| SMILES | CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |
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| Structure | 
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