BDBM9939 2-methylpropyl N-[(S)-cyclohexyl({[(1S)-2-cyclopropyl-1-({3-cyclopropyl-1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopropan-2-yl}carbamoyl)ethyl]carbamoyl})methyl]carbamate::depeptidized alpha-ketoamide inhibitor 35

SMILES CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=YAPCTVNKWVWBJJ-HQTXQMFDSA-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 = 9939   

TargetGenome polyprotein(Hepatitis C virus (HCV genotype 1a, isolate H))
Schering-Plough Research Institute

LigandPNGBDBM9939(2-methylpropyl N-[(S)-cyclohexyl({[(1S)-2-cyclopro...)
Affinity DataKi:  50nM ΔG°:  -10.1kcal/molepH: 6.5 T: 2°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