Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50326098 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_659717 (CHEMBL1246139) |
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IC50 | 453000±n/a nM |
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Citation | Newton, AS; Glória, PM; Gonçalves, LM; dos Santos, DJ; Moreira, R; Guedes, RC; Santos, MM Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem45:3858-63 (2010) [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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BDBM50326098 |
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n/a |
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Name | BDBM50326098 |
Synonyms: | (S)-3-(benzyloxycarbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid | CHEMBL1242328 |
Type | Small organic molecule |
Emp. Form. | C19H19NO6S |
Mol. Mass. | 389.422 |
SMILES | OC(=O)C[C@H](NC(=O)OCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:17.18| |
Structure |
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