BDBM12269 1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2(S)-[[[1-[2-[[2-oxo-2-[(1(R)-phenylethyl)amino]ethyl]amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamates::SCH 503034 Analogue 28::tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-({1-oxo-1-[({[(1R)-1-phenylethyl]carbamoyl}methyl)carbamoyl]pentan-2-yl}carbamoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)c1ccccc1

InChI Key InChIKey=OLFGJSPMJIHIKO-AXRYZZGHSA-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 = 12269   

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

LigandPNGBDBM12269(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...)
Affinity DataKi:  55nM 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