BDBM9683 2-methylpropyl N-[(2S)-1-[(2S,4R)-4-(tert-butoxy)-2-({1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate::N-[(2-Methylpropoxy)carbonyl]-(S)-tert-leucyl-N-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]-4(R)-(1,1-dimethylethoxy)-(S)-prolinamide::SCH446211 (SCH6) Analog 16

SMILES CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)OC(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=CCCPJDHTMQAJPJ-CMMMQLPKSA-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 = 9683   

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

LigandPNGBDBM9683(2-methylpropyl N-[(2S)-1-[(2S,4R)-4-(tert-butoxy)-...)
Affinity DataKi:  19nM ΔG°:  -10.7kcal/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