BDBM12275 1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-[2-(butylamino)-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamates::SCH 503034 Analogue 34::tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-{[1-(butylcarbamoyl)-1-oxopentan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate

SMILES CCCCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C

InChI Key InChIKey=XGGBSZRZECTRLM-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 = 12275   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12275(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-[2-(butyla...)
Affinity DataKi:  1.90E+3nM ΔG°:  -7.93kcal/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