BDBM9716 2-methylpropyl N-[(2S)-1-[(2S)-2-({1-[({[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate::P3-capped alpha-ketoamide inhibitor 31

SMILES CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O

InChI Key InChIKey=YCKPKQXRQQMHGW-NLDQBLENSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9716   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9716(2-methylpropyl N-[(2S)-1-[(2S)-2-({1-[({[(1S)-1-ca...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.82kcal/molepH: 6.5 T: 30°CAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed