BDBM1111 (4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)methyl]-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-amino-benzisoxazol-5-yl)methyl]-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 72

SMILES Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12

InChI Key InChIKey=XYGAZPXCXXYIJV-MZMMNKLXSA-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 = 1111   

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

Curated by ChEMBL
LigandPNGBDBM1111((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...)
Affinity DataKi:  0.407nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1111((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...)
Affinity DataKi:  0.410nM ΔG°:  -13.3kcal/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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1111((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...)
Affinity DataKi:  0.410nMAssay Description:Inhibition constant of HIV protease inhibitorsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Missouri-St. Louis

Curated by ChEMBL
LigandPNGBDBM1111((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...)
Affinity DataKi:  0.410nMAssay Description:Inhibitory activity of compound against HIV-1 aspartyl protease.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed