BDBM1113 (4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(thiazol-2-yl)carboxamidophenyl)methyl]-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)-3-{[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl}-1,3-diazinan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamide::Tetrahydropyrimidinone deriv. 74

SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nccs2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nccs2)[C@@H]1Cc1ccccc1

InChI Key InChIKey=TWDLOKWTPCLJHI-KUFDTJSHSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1113   

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

LigandPNGBDBM1113((4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(thiazo...)
Affinity DataKi:  0.0300nMAssay Description:Inhibition constant of HIV protease inhibitorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1113((4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(thiazo...)
Affinity DataKi:  0.0300nM ΔG°:  -14.9kcal/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 DepthDetails ArticlePubMed