BDBM784 4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::5,6,7,8,9,1O-Hexahydro-4-hydroxy-3-(2-methyl-nylpropyl)-W-cycloocta[b]pyran-2-one::Cyclooctylpyranone 8

SMILES CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O

InChI Key InChIKey=SHPVIVQZNPRWJX-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 = 784   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM784(5,6,7,8,9,1O-Hexahydro-4-hydroxy-3-(2-methyl-nylpr...)
Affinity DataKi:  22nM ΔG°:  -10.3kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2004
Entry Details Article
PubMed