Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM50175345 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_326951 (CHEMBL854333) |
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IC50 | >10000±n/a nM |
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Citation | O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Soper, DL; Wos, JA; Ellis, CD; Baize, MW; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors. Bioorg Med Chem Lett15:5434-8 (2005) [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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BDBM50175345 |
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n/a |
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Name | BDBM50175345 |
Synonyms: | (4S,7S,11aS)-7-benzamido-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-6-oxo-2-(phenylsulfonyl)-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide | CHEMBL199264 |
Type | Small organic molecule |
Emp. Form. | C28H32N4O8S |
Mol. Mass. | 584.641 |
SMILES | OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CN(C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N12)S(=O)(=O)c1ccccc1 |
Structure |
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