BDBM1094 (4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one::4R,5R,6R)-Tetrahydro-1,3-bis[(4-amino-3-flurophenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 28

SMILES Nc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)c(F)c3)C2=O)cc1F

InChI Key InChIKey=FZEXAWHANIIKFQ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 1094   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1094((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...)
Affinity DataKi:  7.90nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1094((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...)
Affinity DataKi:  8nM ΔG°:  -11.5kcal/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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1094((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...)
Affinity DataKi:  8nMAssay Description:Inhibitory activity of compound against HIV-1 aspartyl protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1094((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...)
Affinity DataKi:  8nMAssay 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