BDBM27013 2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxoacetamide::ketoamide derived macrocyclic inhibitor, 37

SMILES CC(C)[C@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(=O)C1CC1

InChI Key InChIKey=YZZKGEWYUCSYFQ-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 = 27013   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27013(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-cyclopropyl-3-...)
Affinity DataKi:  11nM ΔG°:  -11.0kcal/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