BDBM782 4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::5,6,7,8,9,10-Hexahydro-4-hydroxy-3-( 1-phenylpropyl).W-cycloocta[b]pyran-2-one::CHEMBL275899::Cyclooctylpyranone 4d

SMILES CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O

InChI Key InChIKey=UXCLJNSXDNCIIT-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 782   

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

LigandPNGBDBM782(4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...)
Affinity DataKi:  75nM ΔG°:  -9.62kcal/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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pharmacia and Upjohn

Curated by ChEMBL
LigandPNGBDBM782(4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...)
Affinity DataKi:  75nMAssay Description:Binding affinity towards HIV protease was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed