Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM35203
Substrate
BDBM35191
Meas. Tech.
Caspase-3 Inhibition Assay
pH
7.2±n/a
Temperature
296.15±n/a K
IC50
4.43±0.51 nM
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:
BDBM35203
Synonyms:
pyrimidoindolone, 11l
Type:
Small organic molecule
Emp. Form.:
C23H25ClN4O4S
Mol. Mass.:
488.987
SMILES:
CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cncc(Cl)c1 |r,c:4|
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: