BDBM2557 5-tert-butyl-4-{[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl 4-methylpiperazine-1-sulfonate::6-Alkyl-5,6-Dihydropyran-2-one 33

SMILES CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N3CCN(C)CC3)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=ATXVZEQANAFNOR-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 2557   

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

LigandPNGBDBM2557(5-tert-butyl-4-{[4-hydroxy-2-oxo-6-(2-phenylethyl)...)
Affinity DataIC50: 3.90nMpH: 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:
12/9/2004
Entry Details Article
PubMed