BDBM27018 2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-[methyl(thiophene-2-)sulfonamido]butan-2-yl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-propylacetamide::ketoamide derived macrocyclic inhibitor, 42

SMILES CCCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

InChI Key InChIKey=UOIIYJQZEQJBMJ-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 = 27018   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27018(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-[...)
Affinity DataKi:  14nM ΔG°:  -10.9kcal/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