BDBM2183 (3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-methyl-5,6-dihydro-pyran-2-one::3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl]-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-methyl-5,6-dihydro-2H-pyran-2-one::6-Alkyl-5,6-Dihydropyran-2-one 13::CHEMBL37668::PD 178390 Analog 22

SMILES Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1O)C(C)(C)C

InChI Key InChIKey=LQDUAFRWYTXIFN-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 2183   

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

LigandPNGBDBM2183((3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl...)
Affinity DataIC50:  6.5nMpH: 6.2 T: 2°CAssay Description:For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...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
LigandPNGBDBM2183((3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl...)
Affinity DataIC50:  6.5nMpH: 6.2Assay Description:In vitro binding affinity against HIV protease at pH 6.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Parke-Davis Pharmaceutical Research

LigandPNGBDBM2183((3-(2-tert-Butyl-4-hydroxy-5-methyl-phenylsulfanyl...)
Affinity DataIC50:  6.5nMpH: 6.2 T: 2°CAssay Description:For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed