BDBM1082 (4S,5S,6S)-Tetrahydro-1,3-bis[(3-cyanophenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-{[(4S,5S,6S)-4-benzyl-3-[(3-cyanophenyl)methyl]-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}benzonitrile::Tetrahydropyrimidinone deriv. 31

SMILES O[C@H]1[C@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@H]1Cc1ccccc1

InChI Key InChIKey=MHLVDKMRDDJFBG-UHFFFAOYSA-N

Data  1 KI

  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 = 1082   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1082((4S,5S,6S)-Tetrahydro-1,3-bis[(3-cyanophenyl)methy...)
Affinity DataKi:  8.00E+3nM ΔG°:  -7.23kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2004
Entry Details Article
PubMed