Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM50133876
Substrate
n/a
Meas. Tech.
ChEBML_46678
Ki
7.1±n/a nM
Citation
 Ullman, BR; Aja, T; Deckwerth, TL; Diaz, JL; Herrmann, J; Kalish, VJ; Karanewsky, DS; Meduna, SP; Nalley, K; Robinson, ED; Roggo, SP; Sayers, RO; Schmitz, A; Ternansky, RJ; Tomaselli, KJ; Wu, JC Structure-activity relationships within a series of caspase inhibitors: effect of leaving group modifications. Bioorg Med Chem Lett 13:3623-6 (2003) [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:
BDBM50133876
Synonyms:
(S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyrylamino}-5-(naphthalen-1-yloxy)-4-oxo-pentanoic acid | CHEMBL118738
Type:
Small organic molecule
Emp. Form.:
C32H32N2O7
Mol. Mass.:
556.6057
SMILES:
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12
Structure:
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