| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50257419 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_562695 (CHEMBL1012730) |
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| IC50 | 83±n/a nM |
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| Citation |  Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schäfers, M; Haufe, G Fluorinated isatin derivatives. Part 1: synthesis of new N-substituted (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatins as potent caspase-3 and -7 inhibitors. Bioorg Med Chem17:2680-8 (2009) [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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| BDBM50257419 |
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| n/a |
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| Name | BDBM50257419 |
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| Synonyms: | (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-(3,4,4-trifluorobut-3-enyl)isatin | CHEMBL493123 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H19F3N2O5S |
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| Mol. Mass. | 432.414 |
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| SMILES | [#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1S(=O)(=O)c1ccc2-[#7](-[#6]-[#6]\[#6](F)=[#6](/F)F)-[#6](=O)-[#6](=O)-c2c1 |r| |
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| Structure | 
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