BDBM1079 (4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxymethyl)phenyl]methyl})-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 21

SMILES OCc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1

InChI Key InChIKey=ZCQKFPOPDUPHBO-CKOYEXALSA-N

Data  4 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 4 hits for monomerid = 1079   

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

Curated by ChEMBL
LigandPNGBDBM1079((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...)
Affinity DataKi:  0.490nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1079((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...)
Affinity DataKi:  0.490nM ΔG°:  -13.2kcal/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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1079((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...)
Affinity DataKi:  0.490nMAssay Description:Inhibition constant of HIV protease inhibitorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1079((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...)
Affinity DataKi:  0.491nMAssay Description:Inhibitory activity of compound against HIV-1 aspartyl protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed