BDBM12468 3-{[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.1^{7,10}]henicosa-1(20),16,18-trien-9-yl]formamido}-2-oxohexanoic acid::Proline-Based Macrocycle 16

SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(O)=O

InChI Key InChIKey=SYXCDZSJLGKFGY-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 = 12468   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12468(3-{[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-diox...)
Affinity DataKi:  6.10E+3nM ΔG°:  -7.23kcal/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