Target
Caspase-9
Ligand
BDBM50145670
Substrate
n/a
Meas. Tech.
ChEBML_46871
IC50
2720±n/a nM
Citation
 Linton, SDAja, TAllegrini, PRDeckwerth, TLDiaz, JLHengerer, BHerrmann, JJahangiri, KGKallen, JKaranewsky, DSMeduna, SPNalley, KRobinson, EDRoggo, SRovelli, GSauter, ASayers, ROSchmitz, ASmidt, RTernansky, RJTomaselli, KJUllman, BRWiessner, CWu, JC Oxamyl dipeptide caspase inhibitors developed for the treatment of stroke. Bioorg Med Chem Lett 14:2685-91 (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:
BDBM50145670
Synonyms:
(S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-pentanoylamino}-4-oxo-butyric acid | CHEMBL330535
Type:
Small organic molecule
Emp. Form.:
C22H26N2O6
Mol. Mass.:
414.4516
SMILES:
CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Structure:
Search PDB for entries with ligand similarity: