Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10566
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
1100±n/a nM
Citation
 Isabel, E; Black, WC; Bayly, CI; Grimm, EL; Janes, MK; McKay, DJ; Nicholson, DW; Rasper, DM; Renaud, J; Roy, S; Tam, J; Thornberry, NA; Vaillancourt, JP; Xanthoudakis, S; Zamboni, R Nicotinyl aspartyl ketones as inhibitors of caspase-3. Bioorg Med Chem Lett 13:2137-40 (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:
BDBM10566
Synonyms:
(3S)-5-(benzylsulfanyl)-3-[(5-bromopyridin-3-yl)formamido]-4-oxopentanoic acid | nicotinyl aspartyl ketone 16
Type:
Small organic molecule
Emp. Form.:
C18H17BrN2O4S
Mol. Mass.:
437.308
SMILES:
OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase Fluorogenic Substrate
Synonyms:
Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:
Peptide
Mol. Mass.:
1461.77
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAMC