| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50203364 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_454170 (CHEMBL903359) |
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| IC50 | 6.6±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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| BDBM50203364 |
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| n/a |
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| Name | BDBM50203364 |
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| Synonyms: | CHEMBL248310 | N-((S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-carboxy-2-oxobutyl)-N-methylhexan-1-aminium 2,2,2-trifluoroacetate |
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| Type | Small organic molecule |
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| Emp. Form. | C25H42N9O5 |
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| Mol. Mass. | 548.6577 |
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| SMILES | CCCCCC[NH+](C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:19.19,6.6| |
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| Structure | 
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