brequinar [Ligand Id: 7406] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL38434 (Brequinar)
  • dihydrofolate reductase/Dihydrofolate reductase in Human [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374]
  • This target only has 0 pki data point
  • 0
1 CHEMBL38434_lig_chart_1 Dihydrofolate reductase Human
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  • dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Human [ChEMBL: CHEMBL1966] [GtoPdb: 2604] [UniProtKB: Q02127]
  • dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Rat [ChEMBL: CHEMBL2383] [GtoPdb: 2604] [UniProtKB: Q63707]
  • 0
2 CHEMBL38434_lig_chart_2 Dihydroorotate dehydrogenase HumanRat
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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 CHEMBL38434_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 8.74 pIC50 1.8 nM IC50 Eur J Med Chem (2017) 129: 287-302 [PMID:28235702]
dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1966] [GtoPdb: 2604] [UniProtKB: Q02127]
GtoPdb - - 7 pKi 100 nM Ki Invest New Drugs (1987) 5: 235-44 [PMID:2822596]
ChEMBL Inhibition measurement of orotate formation from radiolabeled dihydroorotate, using partially purified DHODase isolated from human liver. B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. Lett. (1995) 5: 1549-1554
ChEMBL Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry B 7.4 pIC50 39.81 nM IC50 J. Med. Chem. (2015) 58: 860-877 [PMID:25558988]
ChEMBL Inhibition of human DHODH B 7.43 pIC50 37 nM IC50 Eur J Med Chem (2019) 183: 111681-111681 [PMID:31557612]
ChEMBL Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by multilabel plate reader analysis B 7.92 pIC50 12 nM IC50 Bioorg. Med. Chem. (2015) 23: 4669-4680 [PMID:26088338]
ChEMBL Inhibition of human DHODH B 7.92 pIC50 12 nM IC50 ACS Med. Chem. Lett. (2013) 4: 517-521 [PMID:23930152]
ChEMBL Inhibition of human purified recombinant DHODH B 8 pIC50 10 nM IC50 J. Med. Chem. (2013) 56: 3148-3167 [PMID:23452331]
ChEMBL Inhibition of human recombinant DHODH B 8 pIC50 10 nM IC50 J. Med. Chem. (2015) 58: 5579-5598 [PMID:26079043]
ChEMBL Inhibition of human recombinant DHODH expressed in baculovirus infected insect cells using dihydroorotate as substrate in presence of quinone by dichlorophenol-indophenol dye based assay B 8 pIC50 10 nM IC50 ACS Med Chem Lett (2016) 7: 1112-1117 [PMID:27994748]
ChEMBL Inhibition of human DHODH using dihydroorotate substrate by DCIP assay B 8.08 pIC50 8.4 nM IC50 MedChemComm (2017) 8: 1297-1302
ChEMBL Inhibitory activity against recombinant human DHODH B 8.1 pIC50 8 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 267-270 [PMID:16246558]
ChEMBL Inhibition of N-terminally truncated human DHODH (Met30 to Arg396 residues) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate preincubated for 5 mins followed by substrate addition measured every 30 secs for 6 mins by DCIP-based spectrophotometric assay B 8.13 pIC50 7.4 nM IC50 MedChemComm (2016) 7: 853-858
ChEMBL Inhibition of DHODH (unknown origin) expressed in Escherichia coli Rosetta2(DE3) assessed as reduction of DCIP using dihydroorotate as substrate preincubated for 30 mins followed by substrate addition in presence of CoQ10 measured after 1 hr B 8.14 pIC50 7.3 nM IC50 J Med Chem (2018) 61: 5162-5186 [PMID:29727569]
ChEMBL Inhibition of human DHODH B 8.22 pIC50 6 nM IC50 J. Med. Chem. (2013) 56: 3148-3167 [PMID:23452331]
ChEMBL Inhibition of human recombinant DHODH B 8.4 pIC50 4 nM IC50 ACS Med Chem Lett (2016) 7: 1112-1117 [PMID:27994748]
ChEMBL Inhibition of recombinant human DHODH by using blue indicator dye DCIP B 8.52 pIC50 3 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 1981-1984 [PMID:20153645]
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 8.74 pIC50 1.8 nM IC50 J Med Chem (2018) 61: 6034-6055 [PMID:29939742]
dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2383] [GtoPdb: 2604] [UniProtKB: Q63707]
ChEMBL Inhibition of rat purified recombinant DHODH B 6.44 pIC50 367 nM IC50 J. Med. Chem. (2013) 56: 3148-3167 [PMID:23452331]
ChEMBL Inhibition of rat recombinant His-tagged truncated DHODH expressed in Escherichia coli using dihydroorotate as substrate by chromogen reduction assay B 6.9 pIC50 127 nM IC50 J. Med. Chem. (2013) 56: 3148-3167 [PMID:23452331]
ChEMBL Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol reduction-based spectrophotometry B 7.48 pIC50 33 nM IC50 Eur. J. Med. Chem. (2012) 49: 102-109 [PMID:22245049]
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 4.7 pIC50 20000 nM IC50 Eur J Med Chem (2019) 167: 357-366 [PMID:30776695]
ChEMBL Inhibition of Schistosoma mansoni DHODH B 4.7 pIC50 20000 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]