| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50160949 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_305651 (CHEMBL829509) |
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| IC50 | 0.036000±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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| BDBM50160949 |
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| n/a |
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| Name | BDBM50160949 |
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| Synonyms: | (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiophen-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid | CHEMBL361613 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H28N4O5S2 |
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| Mol. Mass. | 528.644 |
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| SMILES | CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O |
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| Structure | 
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