BDBM2196 6-[2-(4-Aminophenyl)-ethyl]-(3-(2-tert-butyl-4-hydroxy-methyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isobutyl-5,6-dihydro-pyran-2-one::6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(2-methylpropyl)-5,6-dihydro-2H-pyran-2-one::PD 178390 Analog 35

SMILES CC(C)CC1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=TZRNUGZQSVMZOU-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 = 2196   

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

LigandPNGBDBM2196(6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hyd...)
Affinity DataIC50: 2.90nMAssay 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:
11/10/2004
Entry Details Article
PubMed