BDBM10654 (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID::(3S)-5-(benzylsulfanyl)-3-{[(2S,11S)-11-[(3S)-3-acetamido-3-formamidopropanoic acid]-12-oxo-1-azatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-yl]formamido}-4-oxopentanoic acid::5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR::Compound 4

SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1

InChI Key InChIKey=PEECWFLPGAWBQR-ZJZGAYNASA-N

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 = 10654   

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

LigandPNGBDBM10654((3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO...)
Affinity DataIC50:  3nMpH: 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