BDBM9697 N-[(benzylcarbamoyl)methyl]-3-{[(3S,18S)-3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo[11.5.3.0^{16,20}]henicosa-13(21),14,16(20)-trien-18-yl]formamido}-2-oxohexanamide::tetrahydroisoquinoline-based macrocyclic inhibitor 20

SMILES CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)NCc1ccccc1

InChI Key InChIKey=NKGFEACAPRMRSA-OREWIGCKSA-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 = 9697   

TargetGenome polyprotein(Hepatitis C virus (HCV genotype 1a, isolate H))
Schering-Plough Research Institute

LigandPNGBDBM9697(N-[(benzylcarbamoyl)methyl]-3-{[(3S,18S)-3-cyclohe...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.90kcal/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 DepthDetails ArticlePubMed