BDBM12482 3-{[(6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.1^{6,9}]icosa-1(19),15,17-trien-8-yl]formamido}-N-({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)-2-oxohexanamide::Proline-Based Macrocycle 33

SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=MFXJMZYNGYTSKN-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 = 12482   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12482(3-{[(6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-diox...)
Affinity DataKi:  30nM ΔG°:  -10.4kcal/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
In Depth
Date in BDB:
12/12/2006
Entry Details Article
PubMed