| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50326095 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_749585 (CHEMBL1787194) |
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| IC50 | 30500±n/a nM |
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| Citation |  Glória, PM; Coutinho, I; Gonçalves, LM; Baptista, C; Soares, J; Newton, AS; Moreira, R; Saraiva, L; Santos, MM Aspartic vinyl sulfones: inhibitors of a caspase-3-dependent pathway. Eur J Med Chem46:2141-6 (2011) [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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| BDBM50326095 |
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| n/a |
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| Name | BDBM50326095 |
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| Synonyms: | (S)-3-((2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanamido)-5-(methylsulfonyl)pent-4-enoic acid | CHEMBL1242700 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H28N2O7S |
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| Mol. Mass. | 440.511 |
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| SMILES | CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:25.26| |
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| Structure | 
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