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Target
Caspase-3
Ligand
BDBM10265
Substrate
Caspase-3 Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
356±n/a 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:
BDBM10265
Synonyms:
2-(4-Nitro-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-5-yl)-acetamide | 2-(4-nitrophenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide | Isoquinoline-1,3,4-trione 6l
Type:
Small organic molecule
Emp. Form.:
C17H11N3O6
Mol. Mass.:
353.2857
SMILES:
O=C(Cc1ccc(cc1)N(=O)=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
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