BDBM1937 3-[1-[3-[[[(2-Benzimidazolyl)methyl]amino]carbonyl]phenyl]propyl]-4-hydroxycoumarin::Alternate Carboxamide-Containing Phenprocoumon deriv. XVIII::N-(1H-1,3-benzodiazol-2-ylmethyl)-3-[1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]benzamide

SMILES CCC(c1cccc(c1)C(=O)NCc1nc2ccccc2[nH]1)c1c(O)c2ccccc2oc1=O

InChI Key InChIKey=WTQVSVUYWWAYEA-UHFFFAOYSA-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 = 1937   

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

LigandPNGBDBM1937(3-[1-[3-[[[(2-Benzimidazolyl)methyl]amino]carbonyl...)
Affinity DataKi:  4.40E+3nM ΔG°:  -7.23kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed