| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50191908 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_399986 (CHEMBL910860) |
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| IC50 | >10000±n/a nM |
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| Citation |  Ellis, CD; Oppong, KA; Laufersweiler, MC; O'Neil, SV; Soper, DL; Wang, Y; Wos, JA; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett16:4728-32 (2006) [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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| BDBM50191908 |
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| n/a |
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| Name | BDBM50191908 |
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| Synonyms: | CHEMBL441854 | benzo[b]thiophene-2-carboxylic acid {(R)-4-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-1,1,5-trioxo-1lambda*6*-[1,4]thiazepan-6-yl}-amide |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21N3O8S2 |
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| Mol. Mass. | 495.526 |
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| SMILES | OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2cc3ccccc3s2)C1=O |
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| Structure | 
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