Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50189366 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_388621 (CHEMBL865481) |
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IC50 | >10000±n/a nM |
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Citation | Soper, DL; Sheville, J; O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Wos, JA; Ellis, CD; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 1-(2-acylhydrazinocarbonyl)-cycloalkyl carboxamides as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett16:4233-6 (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 |
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 |
Type: | Hydrolase; heterotetramer of two heterodimers |
Mol. Mass.: | 31607.55 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 277 |
Sequence: | MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
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BDBM50189366 |
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n/a |
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Name | BDBM50189366 |
Synonyms: | CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)cyclohexanecarbonyl)-2,6-dimethoxybenzohydrazide |
Type | Small organic molecule |
Emp. Form. | C21H27N3O8 |
Mol. Mass. | 449.4544 |
SMILES | COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O |
Structure |
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