| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3 |
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| Ligand | BDBM50199764 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_441111 (CHEMBL891325) |
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| IC50 | >10000±n/a nM |
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| Citation |  Wang, Y; O'Neil, SV; Wos, JA; Oppong, KA; Laufersweiler, MC; Soper, DL; Ellis, CD; Baize, MW; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Schwecke, WP; Cruze, CA; Buchalova, M; Belkin, M; De, B; Demuth, TP Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem15:1311-22 (2007) [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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| BDBM50199764 |
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| n/a |
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| Name | BDBM50199764 |
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| Synonyms: | CHEMBL242938 | N-((S,Z)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-6-methyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide |
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| Type | Small organic molecule |
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| Emp. Form. | C24H25N3O6 |
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| Mol. Mass. | 451.4718 |
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| SMILES | CC1=CC[C@H](NC(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2O)C1 |w:30.33,t:1| |
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| Structure | 
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