BDBM29039 cyanohydroxybutenamide, 29

SMILES CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(C)=O)cc1

InChI Key InChIKey=CWXKQNSOIPGSDI-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 = 29039   

LigandPNGBDBM29039(cyanohydroxybutenamide, 29)
Affinity DataKi:  16nM IC50: 130nMAssay 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:
5/25/2009
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University of Leeds

LigandPNGBDBM29039(cyanohydroxybutenamide, 29)
Affinity DataKi:  2.15E+4nM ΔG°:  -6.36kcal/mole IC50: 1.82E+5nMpH: 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:
5/25/2009
Entry Details Article
PubMed