Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
ChEMBL ligand: CHEMBL973 (A77 1726, Aubagio, HMR-1726, HMR1726, Leflunomide related compound b, Leflunomide related compound b rs, Teriflunomide, Teriflunomide mylan) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
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 recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using DL-dihydroorotic acid as substrate and Q0 as coenzyme by DCIP based assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2021) 64: 13918-13932 [PMID:34516133] |
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 human N-terminal SUMO-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate by DCIP based microplate reader analysis | B | 6.39 | pIC50 | 407.8 | nM | IC50 | Eur J Med Chem (2022) 238: 114489-114489 [PMID:35640328] |
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 human recombinant DHODH expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 10 mins by DCIP based multimode microplate reader analysis | B | 6.64 | pIC50 | 227 | nM | IC50 | J Med Chem (2022) 65: 592-615 [PMID:34957834] |
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] |
ChEMBL | Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular response upto 72 hrs by luciferase reporter gene assay | B | 5.05 | pEC50 | 8912.51 | nM | EC50 | Eur J Med Chem (2020) 186: 111855-111855 [PMID:31740051] |
ChEMBL | Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular response upto 72 hrs by luciferase reporter gene assay | B | 5.05 | pEC50 | 8900 | nM | EC50 | Eur J Med Chem (2020) 186: 111855-111855 [PMID:31740051] |
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] |
Orai1/ORAI1/STIM1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3832644] [GtoPdb: 2964] [UniProtKB: Q13586, Q96D31] | ||||||||
ChEMBL | Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response | B | 5.37 | pIC50 | 4300 | nM | IC50 | J Med Chem (2020) 63: 14761-14779 [PMID:33253576] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]