Reaction Details Report a problem with these data
Target
Caspase-9
Ligand
BDBM50140543
Substrate
n/a
Meas. Tech.
ChEBML_46872
IC50
5±n/a nM
Citation
 Wang, Y; Huang, JC; Zhou, ZL; Yang, W; Guastella, J; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase-3 inhibitors: SAR of the P2 amino acid. Bioorg Med Chem Lett 14:1269-72 (2004) [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:
BDBM50140543
Synonyms:
3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid | CHEMBL23226 | Z-Val-Asp-fmk
Type:
Small organic molecule
Emp. Form.:
C18H23FN2O6
Mol. Mass.:
382.3834
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
Structure:
Search PDB for entries with ligand similarity: