Found 5 hits Enzyme Inhibition Constant Data 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
(367/367 = 100%)† (Homo sapiens (Human)) | BDBM15343
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 33 | 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
(367/367 = 100%)† (Homo sapiens (Human)) | BDBM15343
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH) |
Bioorg Med Chem Lett 14: 55-8 (2003)
BindingDB Entry DOI: 10.7270/Q2XS5TS2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(367/367 = 100%)† (Homo sapiens (Human)) | BDBM15343
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay |
Bioorg Med Chem Lett 15: 4854-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.053 BindingDB Entry DOI: 10.7270/Q2HX1C7N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(326/366 = 89%)† (Rattus norvegicus (rat)) | BDBM15343
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibitory activity against rat dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 15: 4854-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.053 BindingDB Entry DOI: 10.7270/Q2HX1C7N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(323/366 = 88%)† (Mus musculus) | BDBM15343
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3| Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibitory activity against mouse dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 15: 4854-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.053 BindingDB Entry DOI: 10.7270/Q2HX1C7N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |