BDBM27062 2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-(4-methyl-2,6-dioxopiperazin-1-yl)butan-2-yl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-(prop-2-en-1-yl)acetamide::Macrocyclic Peptidomimetic, 30

SMILES CN1CC(=O)N(C[C@@H](NC(=O)N[C@H]2COCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)C(=O)C1

InChI Key InChIKey=NZLHAEOXLGAALS-NETBGATESA-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 = 27062   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27062(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-(...)
Affinity DataKi:  15nM ΔG°:  -10.8kcal/molepH: 6.5 T: 30°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 DepthDetails ArticlePubMed