| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50461493 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1771437 (CHEMBL4223549) |
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| IC50 | 18±n/a nM |
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| Citation |  Mou, J; Wu, S; Luo, Z; Guo, F; He, H; Wang, J; Lin, F; Guo, F; Sun, J; Shen, L; Zeng, M; Wang, C; Xu, D; Gu, Z; Tian, X; Zhang, A; Xu, H; Yang, L; Zhang, X; Li, J; Chen, S Structure-activity relationship study of a series of caspase inhibitors containing ?-amino acid moiety for treatment of cholestatic liver disease. Bioorg Med Chem Lett28:1874-1878 (2018) [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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| BDBM50461493 |
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| n/a |
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| Name | BDBM50461493 |
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| Synonyms: | CHEMBL4227888 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H22F4N2O6S |
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| Mol. Mass. | 566.521 |
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| SMILES | OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F |r| |
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| Structure | 
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