Reaction Details Report a problem with these data
Target
Caspase-9
Ligand
BDBM50426563
Substrate
n/a
Meas. Tech.
ChEMBL_938627 (CHEMBL2327247)
IC50
1100±n/a nM
Citation
 Rosse, G Irreversible inhibitors of cysteine proteases. ACS Med Chem Lett 4:163-4 (2013) [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:
BDBM50426563
Synonyms:
CHEMBL2323967
Type:
Small organic molecule
Emp. Form.:
C28H38N4O11S
Mol. Mass.:
638.687
SMILES:
CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:39.41|
Structure:
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