Target
Caspase-3
Ligand
BDBM35216
Substrate
BDBM35191
Meas. Tech.
Caspase-3 Inhibition Assay
pH
7.2±n/a
Temperature
296.15±n/a K
IC50
1338±92 nM
Citation
 Havran, LMChong, DCChilders, WEDollings, PJDietrich, AHarrison, BLMarathias, VTawa, GAulabaugh, ACowling, RKapoor, BXu, WMosyak, LMoy, FHum, WTWood, ARobichaud, 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:
BDBM35216
Synonyms:
pyrimidoindolone, 22e
Type:
Small organic molecule
Emp. Form.:
C19H18ClN3O3S
Mol. Mass.:
403.883
SMILES:
CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1C2=O |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: