BDBM10656 (3S)-3-[2-(5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxo-1,2-dihydropyrazin-1-yl)butanamido]-5-[hexyl(methyl)amino]-4-oxopentanoate::3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION::Compound 6::PRYAZINONE INHIBITOR

SMILES CCCCCCN(C)CC(=O)[C@H](CC([O-])=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C

InChI Key InChIKey=XIMITGPWYYFUQF-ZQRQZVKFSA-M

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10656   

TargetCaspase-3(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM10656((3S)-3-[2-(5-tert-butyl-3-{[(4-methyl-1,2,5-oxadia...)
Affinity DataIC50:  9.17nMpH: 7.0 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...More data for this Ligand-Target Pair