BDBM9693 pentapeptide inhibitor 2::tert-butyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-({1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-oxoethyl]carbamate

SMILES CCCC(NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=WLOYWSKZLNRCMP-UHFFFAOYSA-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 = 9693   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9693(tert-butyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-({1-[({[...)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.21kcal/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 Depth
Date in BDB:
6/6/2006
Entry Details Article
PubMed