BDBM1114 (4R,5S,6S)-4-benzyl-6-(1-fluoro-2-phenylethyl)-5-hydroxy-1,3-bis[(3-hydroxyphenyl)methyl]-1,3-diazinan-2-one::(4S,5S,6R)-Tetrahydro-1,3-bis-[3-hydroxyphenylmethyl]-5-hydroxy-4-(1S-fluoro-2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 78

SMILES O[C@H]1[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1[C@@H](F)Cc1ccccc1

InChI Key InChIKey=BEOBTSDHZXSZDU-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 1114   

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

LigandPNGBDBM1114((4R,5S,6S)-4-benzyl-6-(1-fluoro-2-phenylethyl)-5-h...)
Affinity DataKi:  12nM ΔG°:  -11.2kcal/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
LigandPNGBDBM1114((4R,5S,6S)-4-benzyl-6-(1-fluoro-2-phenylethyl)-5-h...)
Affinity DataKi:  12nMAssay 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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1114((4R,5S,6S)-4-benzyl-6-(1-fluoro-2-phenylethyl)-5-h...)
Affinity DataKi:  12nMAssay 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