| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50340538 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_741338 (CHEMBL1764807) |
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| IC50 | 18.3±n/a nM |
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| Citation |  Chu, W; Rothfuss, J; Zhou, D; Mach, RH Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: introduction of a hydrophilic group increases potency in a whole cell assay. Bioorg Med Chem Lett21:2192-7 (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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| BDBM50340538 |
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| n/a |
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| Name | BDBM50340538 |
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| Synonyms: | (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile | CHEMBL1762358 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H27FN4O5S |
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| Mol. Mass. | 586.633 |
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| SMILES | F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| |
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| Structure | 
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