Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50160989 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305651 (CHEMBL829509) |
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IC50 | 0.006000±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 |
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 |
Type: | Hydrolase; heterotetramer of two heterodimers |
Mol. Mass.: | 31607.55 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 277 |
Sequence: | MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
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BDBM50160989 |
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n/a |
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Name | BDBM50160989 |
Synonyms: | (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(hexyl-methyl-amino)-methyl]-amino}-4-oxo-pentanoic acid | CHEMBL361825 |
Type | Small organic molecule |
Emp. Form. | C29H48N8O6 |
Mol. Mass. | 604.7414 |
SMILES | CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |
Structure |
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