Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM35221
Substrate
BDBM35191
Meas. Tech.
Caspase-3 Inhibition Assay
Temperature
298.15±n/a K
IC50
1.29±n/a nM
Comments
extracted
Citation
 Havran, LM; Chong, DC; Childers, WE; Dollings, PJ; Dietrich, A; Harrison, BL; Marathias, V; Tawa, G; Aulabaugh, A; Cowling, R; Kapoor, B; Xu, W; Mosyak, L; Moy, F; Hum, WT; Wood, A; Robichaud, AJ 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3. Bioorg Med Chem 17:7755-68 (2009) [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:
BDBM35221
Synonyms:
pyrimidoindolone, 25b
Type:
Small organic molecule
Emp. Form.:
C25H27N3O4S
Mol. Mass.:
465.565
SMILES:
O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM35191
Synonyms:
Ac-DEVD-AFC | N-acetylaspartyl- glutamyl-valyl-aspartate-7-amino-4-trifluoromethyl coumarin
Type:
internally quenched fluorescent substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: