BDBM27002 2-[(3S,14S,17S,18R,20S)-3-[(tert-butylcarbamoyl)amino]-19,19-dimethyl-2,16-dioxo-1,15-diazatricyclo[15.4.0.0^{18,20}]henicosan-14-yl]-N-({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)-2-oxoacetamide::ketoamide derived macrocyclic inhibitor, 26

SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)NC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1

InChI Key InChIKey=MFLYVBSEKPNJNJ-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 = 27002   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27002(2-[(3S,14S,17S,18R,20S)-3-[(tert-butylcarbamoyl)am...)
Affinity DataKi:  6nM ΔG°:  -11.4kcal/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
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Date in BDB:
2/23/2009
Entry Details Article
PubMed