Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM50223115
Substrate
n/a
Meas. Tech.
ChEMBL_450038 (CHEMBL899137)
IC50
210±n/a nM
Citation
 Wang, Y; Jia, S; Tseng, B; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P(2) amino acid by 2-aminoaryl acids and other non-natural amino acids. Bioorg Med Chem Lett 17:6178-82 (2007) [PubMed]  Article 
Target
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:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM50223115
Synonyms:
3-((1S,2R)-2-(benzyloxycarbonyl)cyclopentanecarboxamido)-5-fluoro-4-oxopentanoic acid | CHEMBL429632
Type:
Small organic molecule
Emp. Form.:
C19H23FN2O6
Mol. Mass.:
394.3941
SMILES:
OC(=O)CC(NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF |w:4.4|
Structure:
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