BDBM50018011 Aubagio::CHEBI:68540::HMR-1726::TERIFLUNOMIDE

SMILES C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O

InChI Key InChIKey=UTNUDOFZCWSZMS-UHFFFAOYSA-N

Data  24 IC50  2 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50018011   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 312nMAssay Description:Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
2/24/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 408nMAssay Description:Inhibition of human DHODH incubated for 30 minsMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
12/17/2024
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 408nMAssay Description:Inhibition of human N-terminal SUMO-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate by DCIP based microplate read...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
6/22/2023
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 227nMAssay Description:Inhibition of human recombinant DHODH expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated f...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
3/6/2023
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using DL-dihydroorotic acid as substra...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
8/23/2022
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TargetCalcium release-activated calcium channel protein/Stromal interaction molecule 1(Human)
University of Eastern Piedmont

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium responseMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

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Date in BDB:
3/23/2022
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataEC50:  8.91E+3nMAssay Description:Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular respons...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
3/23/2022
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataEC50:  8.90E+3nMAssay Description:Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular respons...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
3/23/2022
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rat)
University of Washington

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 17nMAssay Description:Inhibition of C-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
8/11/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mouse)
University of Washington

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 110nMAssay Description:Inhibition of C-terminal His6-tagged mouse DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
8/11/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 300nMAssay Description:Inhibition of C-terminal His6-tagged human DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseChEBI
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Date in BDB:
8/11/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 320nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
2/25/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Blood fluke)
University of Turin (Unito)

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Schistosoma mansoni DHODHMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
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Date in BDB:
2/25/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 64nMpH: 8.0Assay Description:Recombinant human DHODH (final enzyme concentration between 20 and 60 nM in the assay well) were incubated at 37 °C in 50 mM Tris-HCl, 0.1% Triton X-...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
2/16/2016
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Blood fluke)
University of Turin (Unito)

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
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Date in BDB:
2/24/2021
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))TBA

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 1.91E+5nMAssay Description:Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia coli DH5alpha using L-dihydroorotate as substrate by DCIP-based spectr...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
8/30/2020
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 388nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) assessed as inhibition of DC...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
6/27/2020
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TargetDihydrofolate reductase(Human)
University of Torino

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 388nMAssay Description:Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as s...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
7/5/2019
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 356nMAssay Description:Inhibition of human DHODH assessed as decrease in DCIP using dihydroorotate as substrate measured every 30 seconds for 6 minsMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
9/14/2017
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human recombinant DHODHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
10/16/2016
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 163nMAssay Description:Inhibition of human DHODH using dihydroorotate substrate by DCIP assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
4/21/2016
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+3nMAssay Description:Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
4/20/2016
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Rat)
University of Washington

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 18nMAssay Description:Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
2/10/2015
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 440nMAssay Description:Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
2/10/2015
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Universidade De S£O Paulo

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 210nMAssay Description:Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Date in BDB:
2/10/2015
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TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Mouse)
University of Washington

Curated by ChEMBL

LigandBDBM50018011(CHEBI:68540 | HMR-1726 | Aubagio | TERIFLUNOMIDE)Copy SMILESCopy InChI

Affinity DataIC50: 150nMAssay Description:Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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In Depth
Date in BDB:
2/10/2015
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