BDBM1112 (4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(5-methyl-pyrid-2-yl)carboxamidophenyl)methyl]-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-4-benzyl-5-hydroxy-3-({3-[(5-methylpyridin-2-yl)carbamoyl]phenyl}methyl)-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-N-(5-methylpyridin-2-yl)benzamide::Tetrahydropyrimidinone deriv. 73

SMILES Cc1ccc(NC(=O)c2cccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4ccc(C)cn4)C3=O)c2)nc1

InChI Key InChIKey=SXPVUUNIEQEZAM-DFFQZVHSSA-N

Data  2 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 2 hits for monomerid = 1112   

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

LigandPNGBDBM1112((4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(5-meth...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition constant of HIV protease inhibitorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1112((4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(5-meth...)
Affinity DataKi:  0.0800nM ΔG°:  -14.3kcal/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
In DepthDetails ArticlePubMed