BDBM1093 (4R,5R,6R)-Tetrahydro-1,3-bis[(4-fluoro-3-benzamido)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::5-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoyl-4-fluorophenyl)methyl]-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-2-fluorobenzamide::Tetrahydropyrimidinone deriv. 27

SMILES NC(=O)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(N)=O)C2=O)ccc1F

InChI Key InChIKey=PISUONOGDJBKDU-UHFFFAOYSA-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 = 1093   

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

LigandPNGBDBM1093(5-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoyl-4-fluoroph...)
Affinity DataKi:  1.40nM ΔG°:  -12.6kcal/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 Florida

Curated by ChEMBL
LigandPNGBDBM1093(5-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoyl-4-fluoroph...)
Affinity DataKi:  1.40nMAssay 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 Florida

Curated by ChEMBL
LigandPNGBDBM1093(5-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoyl-4-fluoroph...)
Affinity DataKi:  1.40nMAssay 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 Florida

Curated by ChEMBL
LigandPNGBDBM1093(5-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoyl-4-fluoroph...)
Affinity DataKi:  1.40nMAssay 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