BDBM14712 (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide::A77 1726::CHEMBL973::CHEMBL999::TERIFLUNOMIDE

SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key InChIKey=NABQBYDEMLGCEO-UHFFFAOYSA-N

Data  5 KI  19 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 14712   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataKi:  30nM IC50:  260nMAssay 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
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataKi:  32nM IC50:  261nMAssay 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
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of dihydroorotate dehydrogenaseMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataKi:  2.20E+4nM ΔG°:  -6.35kcal/mole IC50:  1.90E+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
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataKi:  2.34E+4nM ΔG°:  -6.31kcal/mole IC50:  1.90E+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
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  420nMAssay Description:Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assayMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  26nMAssay Description:Inhibition of rat dihydroorotate dehydrogenaseMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  20nMAssay Description:Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum)
State Key Laboratory Of Bioreactor Engineering

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  1.14E+4nMAssay Description:Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye redu...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  130nMAssay Description:Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assayMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mus musculus)
Hoechst Marion Roussel

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  69nMAssay Description:Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouseMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  13nMAssay Description:Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in ratMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mus musculus)
Hoechst Marion Roussel

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  156nMAssay Description:Inhibitory activity against mouse dihydroorotate dehydrogenaseMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  9nMAssay Description:Inhibitory activity against rat dihydroorotate dehydrogenaseMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rattus norvegicus (rat))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  20nMAssay Description:Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assayMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  137nMAssay Description:Inhibition of N-terminal His10-tagged human DHODH (Met30 to Arg396) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate measur...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  435nMAssay Description:In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  200nMAssay Description:Immunosuppressive activity of the compound expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  230nMAssay Description:Spectrophotometric assay using crude human, recombinant DHODHase.More data for this Ligand-Target Pair
In DepthDetails MMDB
PDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University Of Leeds

LigandPNGBDBM14712((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Affinity DataIC50:  1.08E+3nMAssay Description:Inhibition of human dihydroorotate dehydrogenaseMore data for this Ligand-Target Pair