BDBM403 CHEMBL169391::Dihydropyran-2-one deriv. 8::N-[5-tert-butyl-4-({4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl}sulfanyl)-2-methylphenyl]-4-cyanobenzene-1-sulfonamide

SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=MPBRLEOTRZKRTK-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 3 hits for monomerid = 403   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Parke-Davis Pharmaceutical Research

LigandPNGBDBM403(CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...)
Affinity DataKi:  0.410nM ΔG°:  -13.3kcal/mole IC50:  2.20nMpH: 6.2 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Parke-Davis Pharmaceutical Research

LigandPNGBDBM403(CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...)
Affinity DataKi:  0.410nMAssay Description:Tested for binding affinity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Parke-Davis Pharmaceutical Research

LigandPNGBDBM403(CHEMBL169391 | Dihydropyran-2-one deriv. 8 | N-[5-...)
Affinity DataIC50:  2.20nMAssay Description:Activity of potent nonpeptidic inhibitor against proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed