BDBM14703 1,3-diethyl 2-{[(4-methylphenyl)amino]methylidene}propanedioate::2-(p-Tolylamino-methylene)-malonic acid diethyl ester::monocyclic compound 8

SMILES CCOC(=O)C(C=Nc1ccc(C)cc1)C(=O)OCC

InChI Key InChIKey=SYDOJTLEFPHBII-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 2 hits for monomerid = 14703   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University of Leeds

LigandPNGBDBM14703(2-(p-Tolylamino-methylene)-malonic acid diethyl es...)
Affinity DataKi:  4.60E+3nM ΔG°:  -7.28kcal/mole IC50: 4.00E+4nMpH: 8.0 T: 2°CAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2007
Entry Details Article
PubMed
LigandPNGBDBM14703(2-(p-Tolylamino-methylene)-malonic acid diethyl es...)
Affinity DataKi:  1.79E+4nM IC50: 1.46E+5nMAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2007
Entry Details Article
PubMed