BDBM50078088 (S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one::CHEMBL37037

SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=ABQNHLNVRKLJGM-NMXAJACMSA-N

Data  2 KI  1 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 = 50078088   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50078088((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...)
Affinity DataKi:  0.0900nMpH: 6.2Assay Description:In vitro binding affinity of the compound against HIV protease at pH 6.2 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
LigandPNGBDBM50078088((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...)
Affinity DataKi:  0.0900nMpH: 4.7Assay Description:Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50078088((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...)
Affinity DataIC50:  1nMpH: 6.2Assay Description:Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 6.2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed