BDBM14699 1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-ylamino}methylidene)propanedioate::2-(Dibenzothiophen-2-ylaminomethylene)-malonic acid diethyl ester::tricyclic compound 5

SMILES CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC

InChI Key InChIKey=DVFQUPNRHFNJLF-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 = 14699   

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

LigandPNGBDBM14699(1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...)
Affinity DataKi:  20nM ΔG°:  -10.5kcal/mole IC50:  160nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Leeds

LigandPNGBDBM14699(1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...)
Affinity DataKi:  3.63E+3nM IC50:  2.96E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed