Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50203361 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_454170 (CHEMBL903359) |
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IC50 | 5±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 |
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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BDBM50203361 |
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n/a |
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Name | BDBM50203361 |
Synonyms: | (3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-2-oxopyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid | CHEMBL248508 |
Type | Small organic molecule |
Emp. Form. | C26H34N8O5 |
Mol. Mass. | 538.5988 |
SMILES | CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| |
Structure |
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