Reaction Details Report a problem with these data
Target
Caspase-9
Ligand
BDBM50161452
Substrate
n/a
Meas. Tech.
ChEBML_304687
IC50
30±n/a nM
Citation
 Wang, Y; Guan, L; Jia, S; Tseng, B; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P2 alpha-amino acid by a alpha-hydroxy acid. Bioorg Med Chem Lett 15:1379-83 (2005) [PubMed]  Article 
Target
Name:
Caspase-9
Synonyms:
Apoptotic protease-activating factor 1/Caspase-3/Caspase-9/Cytochrome c | Apoptotic protease-activating factor 3 | CASP-9 | CASP9 | CASP9_HUMAN | Caspase 9 | ICE-like apoptotic protease 6 | MCH6 | caspase-9 isoform alpha preproprotein
Type:
Enzyme
Mol. Mass.:
46277.29
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
416
Sequence:
MDEADRRLLRRCRLRLVEELQVDQLWDALLSRELFRPHMIEDIQRAGSGSRRDQARQLIIDLETRGSQALPLFISCLEDTGQDMLASFLRTNRQAAKLSKPTLENLTPVVLRPEIRKPEVLRPETPRPVDIGSGGFGDVGALESLRGNADLAYILSMEPCGHCLIINNVNFCRESGLRTRTGSNIDCEKLRRRFSSLHFMVEVKGDLTAKKMVLALLELAQQDHGALDCCVVVILSHGCQASHLQFPGAVYGTDGCPVSVEKIVNIFNGTSCPSLGGKPKLFFIQACGGEQKDHGFEVASTSPEDESPGSNPEPDATPFQEGLRTFDQLDAISSLPTPSDIFVSYSTFPGFVSWRDPKSGSWYVETLDDIFEQWAHSEDLQSLLLRVANAVSVKGIYKQMPGCFNFLRKKLFFKTS
  
Inhibitor
Name:
BDBM50161452
Synonyms:
5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-butyrylamino)-4-oxo-pentanoic acid | CHEMBL180263
Type:
Small organic molecule
Emp. Form.:
C17H21FN2O6
Mol. Mass.:
368.3568
SMILES:
CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Structure:
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