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Target
Caspase-3
Ligand
BDBM50461524
Substrate
n/a
Meas. Tech.
ChEMBL_1771437 (CHEMBL4223549)
IC50
24±n/a nM
Citation
 Mou, J; Wu, S; Luo, Z; Guo, F; He, H; Wang, J; Lin, F; Guo, F; Sun, J; Shen, L; Zeng, M; Wang, C; Xu, D; Gu, Z; Tian, X; Zhang, A; Xu, H; Yang, L; Zhang, X; Li, J; Chen, S Structure-activity relationship study of a series of caspase inhibitors containing ?-amino acid moiety for treatment of cholestatic liver disease. Bioorg Med Chem Lett 28:1874-1878 (2018) [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:
BDBM50461524
Synonyms:
CHEMBL4225592
Type:
Small organic molecule
Emp. Form.:
C25H21F7N2O7
Mol. Mass.:
594.4323
SMILES:
OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1C(F)(F)F)C(=O)COc1c(F)c(F)cc(F)c1F |r|
Structure:
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