BDBM29031 cyanohydroxybutenamide, 21

SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl

InChI Key InChIKey=GALRKEBJYLVKQJ-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 = 29031   

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

LigandPNGBDBM29031(cyanohydroxybutenamide, 21)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.07kcal/mole IC50:  1.02E+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 DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM29031(cyanohydroxybutenamide, 21)
Affinity DataKi:  2.00E+3nM IC50:  1.65E+4nMAssay 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 DepthDetails ArticlePubMed