BDBM2512 3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one::4-Hydroxy-5,6-dihydropyrone deriv. 49::6-Phenyl-6-phenethyldihydropyrone 13a::CHEMBL418511

SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1)C(C)(C)C

InChI Key InChIKey=XKZOEPDUHSUSAS-UHFFFAOYSA-N

Data  5 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 = 2512   

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

LigandPNGBDBM2512(4-Hydroxy-5,6-dihydropyrone deriv. 49 | 3-[(2-tert...)
Affinity DataIC50: 10nMAssay 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 Depth
Date in BDB:
10/21/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Parke-Davis Pharmaceutical Research

LigandPNGBDBM2512(4-Hydroxy-5,6-dihydropyrone deriv. 49 | 3-[(2-tert...)
Affinity DataIC50: 35nMpH: 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 Depth
Date in BDB:
12/8/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM2512(4-Hydroxy-5,6-dihydropyrone deriv. 49 | 3-[(2-tert...)
Affinity DataIC50: 35nMpH: 6.2Assay Description:Inhibitory activity was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 6.2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM2512(4-Hydroxy-5,6-dihydropyrone deriv. 49 | 3-[(2-tert...)
Affinity DataIC50: 10nMpH: 4.7Assay Description:Inhibitory activity was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM2512(4-Hydroxy-5,6-dihydropyrone deriv. 49 | 3-[(2-tert...)
Affinity DataIC50: 35nMAssay Description:HIV-1 protease inhibition.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed