BDBM27008 ketoamide derived macrocyclic inhibitor, 32::tert-butyl (2S)-2-({[(3S,14S,17S,18R,20S)-14-(carbamoylcarbonyl)-19,19-dimethyl-2,16-dioxo-1,15-diazatricyclo[15.4.0.0^{18,20}]henicosan-3-yl]carbamoyl}amino)-3,3-dimethylbutanoate

SMILES CC(C)(C)OC(=O)[C@@H](NC(=O)N[C@H]1CCCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(C)(C)C

InChI Key InChIKey=XXGJUQCAAYVQPH-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 = 27008   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27008(tert-butyl (2S)-2-({[(3S,14S,17S,18R,20S)-14-(carb...)
Affinity DataKi:  37nM ΔG°:  -10.3kcal/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:
2/23/2009
Entry Details Article
PubMed