teriflunomide [Ligand Id: 6844] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL973 (Teriflunomide, HMR-1726, Leflunomide related compound b rs, HMR1726, Aubagio, Leflunomide related compound b, A77 1726)
  • dihydrofolate reductase/Dihydrofolate reductase in Human [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
  • This target only has 0 pki data point
  • 0
1 CHEMBL973_lig_chart_1 Dihydrofolate reductase Human
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  • Dihydroorotate dehydrogenase in Plasmodium falciparum [ChEMBL: CHEMBL3486] [UniProtKB: Q54A96]
  • dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Human [ChEMBL: CHEMBL1966] [GtoPdb: 2604] [UniProtKB: Q02127]
  • dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Mouse [ChEMBL: CHEMBL2991] [GtoPdb: 2604] [UniProtKB: O35435]
  • dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Rat [ChEMBL: CHEMBL2383] [GtoPdb: 2604] [UniProtKB: Q63707]
  • 0
2 CHEMBL973_lig_chart_2 Dihydroorotate dehydrogenase Plasmodium falciparumHumanMouseRat
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  • Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7]
  • This target only has 0 pki data point
  • 0
3 CHEMBL973_lig_chart_3 Dihydroorotate dehydrogenase (quinone), mitochondrial Schistosoma mansoni
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
ChEMBL Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by DCIP oxidation based CoQ10 enzyme coupled assay B 6.41 pIC50 388 nM IC50 Eur J Med Chem (2017) 129: 287-302 [PMID:28235702]
Dihydroorotate dehydrogenase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3486] [UniProtKB: Q54A96]
ChEMBL Inhibition of recombinant Plasmodium falciparum DHODH B 4.63 pKi 23350 nM Ki J. Med. Chem. (2007) 50: 186-191 [PMID:17228860]
ChEMBL Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase B 4.66 pKi 22000 nM Ki J. Med. Chem. (2009) 52: 2683-2693 [PMID:19351152]
ChEMBL Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay B 4.94 pIC50 11390 nM IC50 J. Med. Chem. (2012) 55: 8341-8349 [PMID:22984987]
ChEMBL Inhibition of N-terminal His6-tagged recombinant Plasmodium falciparum DHODH (amino acid residues 158 to 569) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay B 5.41 pIC50 3900 nM IC50 J. Med. Chem. (2014) 57: 5381-5394 [PMID:24801997]
dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1966] [GtoPdb: 2604] [UniProtKB: Q02127]
ChEMBL Inhibition of dihydroorotate dehydrogenase B 5.57 pKi 2700 nM Ki J. Med. Chem. (2001) 44: 281-297 [PMID:11462969]
ChEMBL Inhibition of ubiquinone binding site of human dihydroorotate dehydrogenase B 7.49 pKi 32 nM Ki J. Med. Chem. (2009) 52: 2683-2693 [PMID:19351152]
GtoPdb - - 7.52 pKi 30 nM Ki J Med Chem (2007) 50: 186-91 [PMID:17228860]
ChEMBL Inhibition of human recombinant DHODH B 7.52 pKi 30 nM Ki J. Med. Chem. (2007) 50: 186-191 [PMID:17228860]
ChEMBL Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry B 5.3 pIC50 5011.87 nM IC50 J. Med. Chem. (2015) 58: 860-877 [PMID:25558988]
ChEMBL Inhibition of human dihydroorotate dehydrogenase B 5.97 pIC50 1083 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 7268-7272 [PMID:22078215]
ChEMBL Inhibition of human recombinant DHODH B 6 pIC50 1000 nM IC50 J. Med. Chem. (2015) 58: 5579-5598 [PMID:26079043]
ChEMBL Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay B 6.36 pIC50 440 nM IC50 J. Med. Chem. (2014) 57: 5381-5394 [PMID:24801997]
ChEMBL Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay B 6.38 pIC50 420 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 4854-4857 [PMID:16143532]
ChEMBL Inhibition of recombinant N-terminal GST-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) assessed as inhibition of DCIP reduction using dihydroorotate as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins B 6.41 pIC50 388 nM IC50 J Med Chem (2018) 61: 6034-6055 [PMID:29939742]
ChEMBL Inhibition of human DHODH assessed as decrease in DCIP using dihydroorotate as substrate measured every 30 seconds for 6 mins B 6.45 pIC50 356 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 3064-3066 [PMID:27220723]
ChEMBL Inhibition of human DHODH B 6.49 pIC50 320 nM IC50 Eur J Med Chem (2019) 183: 111681-111681 [PMID:31557612]
GtoPdb - - 6.51 pIC50 307.1 nM IC50 Protein Cell (2020) 11: 723-739 [PMID:32754890]
ChEMBL Inhibition of ubiquinone binding site of human dihydroorotate dehydrogenase B 6.58 pIC50 261 nM IC50 J. Med. Chem. (2009) 52: 2683-2693 [PMID:19351152]
ChEMBL Inhibition of human recombinant DHODH B 6.59 pIC50 260 nM IC50 J. Med. Chem. (2007) 50: 186-191 [PMID:17228860]
ChEMBL Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by direct assay in presence of oxygen depleting system B 6.68 pIC50 210 nM IC50 J. Med. Chem. (2014) 57: 5381-5394 [PMID:24801997]
ChEMBL Inhibition of human DHODH using dihydroorotate substrate by DCIP assay B 6.79 pIC50 163 nM IC50 J. Med. Chem. (2015) 58: 1123-1139 [PMID:25580811]
ChEMBL Inhibition of N-terminal His10-tagged human DHODH (Met30 to Arg396) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate measured every 30 secs for 6 mins by DCIP dye-based assay B 6.86 pIC50 137 nM IC50 J. Med. Chem. (2013) 56: 7911-7924 [PMID:24073986]
ChEMBL Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay B 6.89 pIC50 130 nM IC50 J. Med. Chem. (2012) 55: 8341-8349 [PMID:22984987]
dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2991] [GtoPdb: 2604] [UniProtKB: O35435]
ChEMBL Inhibitory activity against mouse dihydroorotate dehydrogenase B 6.81 pIC50 156 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 4854-4857 [PMID:16143532]
ChEMBL Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay B 6.82 pIC50 150 nM IC50 J. Med. Chem. (2014) 57: 5381-5394 [PMID:24801997]
ChEMBL Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse B 7.16 pIC50 69 nM IC50 J. Med. Chem. (1996) 39: 4608-4621 [PMID:8917650]
dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2383] [GtoPdb: 2604] [UniProtKB: Q63707]
ChEMBL Inhibition of rat dihydroorotate dehydrogenase B 7.59 pIC50 26 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 7268-7272 [PMID:22078215]
ChEMBL Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay B 7.7 pIC50 20 nM IC50 Eur. J. Med. Chem. (2011) 46: 383-392 [PMID:21109332]
ChEMBL Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol reduction-based spectrophotometry B 7.7 pIC50 20 nM IC50 Eur. J. Med. Chem. (2012) 49: 102-109 [PMID:22245049]
ChEMBL Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay B 7.74 pIC50 18 nM IC50 J. Med. Chem. (2014) 57: 5381-5394 [PMID:24801997]
ChEMBL Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat B 7.89 pIC50 13 nM IC50 J. Med. Chem. (1996) 39: 4608-4621 [PMID:8917650]
ChEMBL Inhibitory activity against rat dihydroorotate dehydrogenase B 8.05 pIC50 9 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 4854-4857 [PMID:16143532]
Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7]
ChEMBL Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay B 4.3 pIC50 50000 nM IC50 Eur J Med Chem (2019) 167: 357-366 [PMID:30776695]
ChEMBL Inhibition of Schistosoma mansoni DHODH B 4.3 pIC50 50000 nM IC50 Eur J Med Chem (2019) 183: 111681-111681 [PMID:31557612]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]