BDBM396 3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one::CHEMBL38268::Dihydropyran-2-one deriv. 1

SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=HPYCGBSIYDCTOZ-UHFFFAOYSA-N

Data  3 KI  3 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 5 hits for monomerid = 396   

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

LigandPNGBDBM396(3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-...)
Affinity DataKi:  0.670nM ΔG°:  -13.0kcal/mole IC50:  2.70nMpH: 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)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM396(3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-...)
Affinity DataKi:  0.670nMpH: 6.2Assay Description:Binding affinity of the compound towards HIV protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM396(3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-...)
Affinity DataKi:  0.670nMAssay 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)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM396(3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-...)
Affinity DataIC50:  2.70nMAssay Description:Activity of potent nonpeptidic inhibitor against proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM396(3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-...)
Affinity DataIC50:  2.70nMpH: 6.2Assay Description:In vitro binding affinity against HIV protease at pH 6.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed