BDBM12274 1-Methyl-1-Phenylethyl-[[3-[[[(1R,5S)-3-[(S)-cyclohexyl[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-yl]carbonyl]amino]-1,2-dioxoheptyl]amino]acetate::2-phenylpropan-2-yl 2-(3-{[(1R,2S,5S)-3-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxohexanamido)acetate::SCH 503034 Analogue 33

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)OC(C)(C)c1ccccc1

InChI Key InChIKey=LVYYVTSPFCAYQP-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 = 12274   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12274(2-phenylpropan-2-yl 2-(3-{[(1R,2S,5S)-3-[(2S)-2-{[...)
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 Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed