Reaction Details Report a problem with these data
Target
Caspase-9
Ligand
BDBM50223100
Substrate
n/a
Meas. Tech.
ChEMBL_450044 (CHEMBL899140)
IC50
6±n/a nM
Citation
 Wang, Y; Jia, S; Tseng, B; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P(2) amino acid by 2-aminoaryl acids and other non-natural amino acids. Bioorg Med Chem Lett 17:6178-82 (2007) [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:
BDBM50223100
Synonyms:
2-(2-((S)-2-(benzyloxycarbonyl)-3-methylbutanamido)benzamido)-4-fluoro-3-oxobutanoic acid | CHEMBL237310
Type:
Small organic molecule
Emp. Form.:
C24H26FN3O7
Mol. Mass.:
487.4775
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF |w:27.28|
Structure:
Search PDB for entries with ligand similarity: