BDBM1018 5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)pyridine-2-sulfonamide::CHEMBL21405::N-[3-{1(R,S)-(5,6-Dihydro-4-hydroxy-2-oxo-6(R,S)-phenethyl-6-propyl-2H-pyran-3-yl)propyl}phenyl]-5-cyanopyridine-2-sulfonamide::Tipranavir deriv. 33

SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1

InChI Key InChIKey=CNXLIJOZVTZRJJ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1018   

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

Curated by ChEMBL
LigandPNGBDBM1018(5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...)
Affinity DataKi:  0.100nMAssay 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

LigandPNGBDBM1018(5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)...)
Affinity DataKi:  0.100nM ΔG°:  -13.5kcal/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