BDBM547 CHEMBL20846::N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)quinoline-8-sulfonamide::Sulfonamide-Containing 5,6-Dihydro-4-hydroxy-2-pyrones::Tipranavir analog 4

SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1

InChI Key InChIKey=PXEMUSOJMFGOOU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 547   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM547(CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...)
Affinity DataKi:  3nMAssay Description:Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) ProteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM547(CHEMBL20846 | N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenyl...)
Affinity DataKi:  3nM ΔG°:  -11.5kcal/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 DepthDetails ArticlePubMed