| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM10652 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305651 (CHEMBL829509) |
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| IC50 | 0.000800±n/a nM |
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| Citation |  Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett15:1173-80 (2005) [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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| BDBM10652 |
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| n/a |
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| Name | BDBM10652 |
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| Synonyms: | (3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formamidopropanoic acid]-4-formamidobutanoic acid]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid | CHEMBL443565 | Compound 2 | PHENYL-PROPYL-KETONE INHIBITOR |
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| Type | Small organic molecule |
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| Emp. Form. | C29H40N4O11 |
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| Mol. Mass. | 620.6481 |
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| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r| |
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| Structure | 
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