BDBM9751 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deriv. 22::tert-butyl N-[(2S)-1-[(3S)-3-({1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxohexan-2-yl}carbamoyl)-2-azabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

SMILES CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=YFYHDVOVFZQTQE-UKRMLWEFSA-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 = 9751   

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

LigandPNGBDBM9751(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Affinity DataKi:  81nM ΔG°:  -9.83kcal/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