BDBM7083 N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[3-(1H-1,3-benzodiazol-2-ylcarbamoyl)phenyl]methyl}-4,7-dicyclohexyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide::SD146 Analog 4

SMILES O[C@@H]1[C@@H](O)[C@@H](C2CCCCC2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1C1CCCCC1

InChI Key InChIKey=NMIMFKATLFLNPM-GLGKVNTQSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 7083   

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

LigandPNGBDBM7083(N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[...)
Affinity DataKi:  0.290nM ΔG°:  -13.5kcal/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