Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10249
Substrate
Caspase-3 Substrate
Meas. Tech.
Caspase Inhibition Assay
pH
7.5±n/a
Temperature
308.15±n/a K
IC50
261±37 nM
Citation
 Chen, YH; Zhang, YH; Zhang, HJ; Liu, DZ; Gu, M; Li, JY; Wu, F; Zhu, XZ; Li, J; Nan, FJ Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. J Med Chem 49:1613-23 (2006) [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:
BDBM10249
Synonyms:
2-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione | 2-Allylisoquinoline-1,3,4-trione | Isoquinoline-1,3,4-trione 2b
Type:
Small organic molecule
Emp. Form.:
C12H9NO3
Mol. Mass.:
215.2048
SMILES:
C=CCN1C(=O)C(=O)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-3 Substrate
Synonyms:
Caspase-3 Substrate (Chromogenic)
Type:
n/a
Mol. Mass.:
1438.65
Organism:
n/a
Description:
pNA=p-Nitroaniline
Residue:
16
Sequence:
ACASPGLVALASPPNA