Found 29 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM15339' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
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Similars
| MMDB PDB Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver. |
Bioorg Med Chem Lett 5: 1549-1554 (1995)
Article DOI: 10.1016/0960-894X(95)00252-O BindingDB Entry DOI: 10.7270/Q29K4B55 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human DHODH |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127589 BindingDB Entry DOI: 10.7270/Q29G5RGH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00496 BindingDB Entry DOI: 10.7270/Q2QF8XTK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant N-terminal GST-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate preincubated for 5... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01549 BindingDB Entry DOI: 10.7270/Q2G164QN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Turin
Curated by ChEMBL
| Assay 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... |
J Med Chem 61: 6034-6055 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00373 BindingDB Entry DOI: 10.7270/Q24X5BBP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115 BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHODH |
ACS Med Chem Lett 7: 1112-1117 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00316 BindingDB Entry DOI: 10.7270/Q2TM7D4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using DL-dihydroorotic acid as substra... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01402 BindingDB Entry DOI: 10.7270/Q2F47SZR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of human DHODH using dihydroorotate as substrate and CoQ10 as co-substrate preincubated for 30 mins followed by substrate addition by DCIP... |
J Med Chem 63: 7633-7652 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00512 BindingDB Entry DOI: 10.7270/Q2183B39 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of human DHODH |
J Med Chem 56: 3148-67 (2013)
Article DOI: 10.1021/jm301848w BindingDB Entry DOI: 10.7270/Q2125V0V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 8.0 | 30 |
4SC AG
| Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect... |
J Med Chem 49: 1239-47 (2006)
Article DOI: 10.1021/jm0506975 BindingDB Entry DOI: 10.7270/Q2571988 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of DHODH (unknown origin) expressed in Escherichia coli Rosetta2(DE3) assessed as reduction of DCIP using dihydroorotate as substrate prei... |
J Med Chem 61: 5162-5186 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01862 BindingDB Entry DOI: 10.7270/Q2JS9T36 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHODH |
J Med Chem 58: 5579-98 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00606 BindingDB Entry DOI: 10.7270/Q20V8FJT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant DHODH |
J Med Chem 56: 3148-67 (2013)
Article DOI: 10.1021/jm301848w BindingDB Entry DOI: 10.7270/Q2125V0V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHODH expressed in baculovirus infected insect cells using dihydroorotate as substrate in presence of quinone by dich... |
ACS Med Chem Lett 7: 1112-1117 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00316 BindingDB Entry DOI: 10.7270/Q2TM7D4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using L-DHO as substrate measured ever... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115739 BindingDB Entry DOI: 10.7270/Q29K4FX8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Malaya
Curated by ChEMBL
| Assay Description Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi... |
Bioorg Med Chem 23: 4669-80 (2015)
Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02183 BindingDB Entry DOI: 10.7270/Q2W3814Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol... |
Eur J Med Chem 49: 102-9 (2012)
Article DOI: 10.1016/j.ejmech.2011.12.038 BindingDB Entry DOI: 10.7270/Q2H995NC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Turin (UniTo)
Curated by ChEMBL
| Assay Description Inhibition of human DHODH |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111681 BindingDB Entry DOI: 10.7270/Q2MW2MK0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay |
Eur J Med Chem 167: 357-366 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.018 BindingDB Entry DOI: 10.7270/Q2XK8JZ2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry |
J Med Chem 58: 860-77 (2015)
Article DOI: 10.1021/jm501446r BindingDB Entry DOI: 10.7270/Q2K9396J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant His-tagged truncated DHODH expressed in Escherichia coli using dihydroorotate as substrate by chromogen reduction assay |
J Med Chem 56: 3148-67 (2013)
Article DOI: 10.1021/jm301848w BindingDB Entry DOI: 10.7270/Q2125V0V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description Inhibition of rat purified recombinant DHODH |
J Med Chem 56: 3148-67 (2013)
Article DOI: 10.1021/jm301848w BindingDB Entry DOI: 10.7270/Q2125V0V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | 8.0 | 30 |
University of Copenhagen
| Assay Description To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and... |
Protein Sci 13: 1031-42 (2004)
Article DOI: 10.1110/ps.03533004 BindingDB Entry DOI: 10.7270/Q2FB5163 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Schistosoma mansoni) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay |
Eur J Med Chem 167: 357-366 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.018 BindingDB Entry DOI: 10.7270/Q2XK8JZ2 |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Schistosoma mansoni) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Turin (UniTo)
Curated by ChEMBL
| Assay Description Inhibition of Schistosoma mansoni DHODH |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111681 BindingDB Entry DOI: 10.7270/Q2MW2MK0 |
More data for this Ligand-Target Pair | |