Compile Data Set for Download or QSAR

Found 2074 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase'   

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 (Homo sapiens (Human))	BDBM50284844 (2-Biphenyl-4-yl-3-methyl-quinoline-4-carboxylic ac...) Show SMILES Cc1c(nc2ccccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H17NO2/c1-15-21(23(25)26)19-9-5-6-10-20(19)24-22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	1.70	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29034 (cyanohydroxybutenamide, 24) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl Show InChI InChI=1/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,14H,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.70	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119488 (CHEMBL143628 | X1-(4-Chloro-phenyl)-1H-pyrazole-3,...) Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H19ClN4O2/c25-18-11-13-20(14-12-18)29-22(24(31)27-19-9-5-2-6-10-19)15-21(28-29)23(30)26-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119489 (1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...) Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070857 (CHEMBL50499 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-n1ccc2c(cccc12)-c1ccccc1 Show InChI InChI=1S/C25H17FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-14H,1H3,(H,29,30)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119481 (1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...) Show SMILES NC(=O)c1ccc(NC(=O)c2cc(nn2-c2ccc(Cl)cc2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C25H20ClN5O3/c26-18-8-12-20(13-9-18)31-22(25(34)29-19-10-6-17(7-11-19)23(27)32)14-21(30-31)24(33)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,32)(H,28,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29026 (CHEMBL142996 | cyanocyclopropylpropenamide, 11) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1 Show InChI InChI=1/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,17H,6-7H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119483 (1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...) Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)N1CCCCC1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H27ClN6O2/c29-21-6-10-24(11-7-21)35-26(17-25(33-35)27(36)31-19-20-5-4-14-30-18-20)28(37)32-22-8-12-23(13-9-22)34-15-2-1-3-16-34/h4-14,17-18H,1-3,15-16,19H2,(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284826 (CHEMBL288708 | Sodium; 2-biphenyl-4-yl-6-fluoro-3-...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	8	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069968 (CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...) Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284843 (2-Biphenyl-4-yl-3-methyl-6-trifluoromethyl-quinoli...) Show SMILES Cc1c(nc2ccc(cc2c1C(O)=O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H16F3NO2/c1-14-21(23(29)30)19-13-18(24(25,26)27)11-12-20(19)28-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	8.40	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284834 (2-Biphenyl-4-yl-3,6-dimethyl-quinoline-4-carboxyli...) Show SMILES Cc1ccc2nc(c(C)c(C(O)=O)c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H19NO2/c1-15-8-13-21-20(14-15)22(24(26)27)16(2)23(25-21)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	10	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284861 (2-Biphenyl-4-yl-6-fluoro-quinoline-4-carboxylic ac...) Show SMILES OC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO2/c23-17-10-11-20-18(12-17)19(22(25)26)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	10	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069950 (CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...) Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29025 (cyanohydroxybutenamide, 10) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284867 (CHEMBL43639 | Sodium; 6-fluoro-2-(2'-fluoro-4'-hyd...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(O)cc1F Show InChI InChI=1S/C23H15F2NO3/c1-12-21(23(28)29)18-10-15(24)6-9-20(18)26-22(12)14-4-2-13(3-5-14)17-8-7-16(27)11-19(17)25/h2-11,27H,1H3,(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	11	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119485 (1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-9-19(10-12-20)29-22(24(31)27-18-7-3-2-4-8-18)14-21(28-29)23(30)26-16-17-6-5-13-25-15-17/h2-15H,16H2,1H3,(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (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 GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents 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 (Homo sapiens (Human))	BDBM50069959 (Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...) 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)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069959 (Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...) 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)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069939 (CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...) Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284858 (2-Biphenyl-4-yl-6-fluoro-3-methylsulfanyl-quinolin...) Show SMILES CSc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2S/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article	13	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284853 (2-Biphenyl-4-yl-6-fluoro-3-methoxy-quinoline-4-car...) Show SMILES COc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO3/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	13	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070838 (CHEMBL51082 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C25H19FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,29,30)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29037 (cyanohydroxybutenamide, 27) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1Cl Show InChI InChI=1/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,15H,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid UniChem Similars	Article PubMed	16	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29039 (cyanohydroxybutenamide, 29) Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(C)=O)cc1 Show InChI InChI=1/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,18H,3H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid PDB UniChem	PDB Article PubMed	16	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284838 (9-Fluoro-3-phenyl-5,6-dihydro-benzo[c]acridine-7-c...) Show SMILES OC(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article	17	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069951 (CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...) Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM14699 (1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...) Show SMILES CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC Show InChI InChI=1S/C20H19NO4S/c1-3-24-19(22)16(20(23)25-4-2)12-21-13-9-10-18-15(11-13)14-7-5-6-8-17(14)26-18/h5-12,16H,3-4H2,1-2H3/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	20	-43.9	160	n/a	n/a	n/a	n/a	8.0	25
University of Leeds					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 50: 186-91 (2007) Article DOI: 10.1021/jm060687j BindingDB Entry DOI: 10.7270/Q2T43RB5
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM14710 (ChemBridge compound no. 2 | N-(4-Bromo-2-methylphe...) Show SMILES Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	20	-43.9	180	n/a	n/a	n/a	n/a	8.0	25
University of Leeds					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 50: 186-91 (2007) Article DOI: 10.1021/jm060687j BindingDB Entry DOI: 10.7270/Q2T43RB5
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069943 (CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...) Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284862 (2-Biphenyl-4-yl-6-chloro-3-methyl-quinoline-4-carb...) Show SMILES Cc1c(nc2ccc(Cl)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16ClNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	20	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29028 (cyanohydroxybutenamide, 18) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1ccccc1Cl Show InChI InChI=1/C18H12ClF3N2O2/c1-10(25)13(9-23)17(26)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-8,13H,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid UniChem Similars	Article PubMed	21	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070832 (CHEMBL49129 | Sodium; 2-(biphenyl-3-yloxy)-6-fluor...) Show SMILES Cc1c(Oc2cccc(c2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-17(24)10-11-20(19)25-22(14)28-18-9-5-8-16(12-18)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29027 (cyanohydroxybutenamide, 17) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1Cl Show InChI InChI=1/C17H12Cl2N2O2/c1-10(22)13(9-20)17(23)21-16-7-6-11(8-15(16)19)12-4-2-3-5-14(12)18/h2-8,13H,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid UniChem Similars	Article PubMed	22	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070851 (CHEMBL48531 | Sodium; 6-fluoro-2-(6-methoxy-4-phen...) Show SMILES COc1cc2N(CCc2c(c1)-c1ccccc1)c1nc2ccc(F)cc2c(C([O-])=O)c1C Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-12-17(27)8-9-22(21)28-25(15)29-11-10-19-20(16-6-4-3-5-7-16)13-18(32-2)14-23(19)29/h3-9,12-14H,10-11H2,1-2H3,(H,30,31)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29035 (cyanohydroxybutenamide, 25) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1cccc(Cl)c1 Show InChI InChI=1/C17H12Cl2N2O2/c1-10(22)15(9-20)17(23)21-13-5-6-14(16(19)8-13)11-3-2-4-12(18)7-11/h2-8,15H,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid UniChem Similars	Article PubMed	23	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070844 (CHEMBL49089 | Sodium; 6-fluoro-3-methyl-2-[1-methy...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N2O2/c1-14-23(26(34)35)20-12-17(28)9-10-22(20)32-24(14)21-13-33(2)25-18(7-4-8-19(21)25)15-5-3-6-16(11-15)27(29,30)31/h3-13H,1-2H3,(H,34,35)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070837 (CHEMBL49913 | Sodium; 6-fluoro-3-methyl-2-[4-(3-tr...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H18F4N2O2/c1-14-23(25(33)34)20-13-17(27)8-9-21(20)31-24(14)32-11-10-19-18(6-3-7-22(19)32)15-4-2-5-16(12-15)26(28,29)30/h2-9,12-13H,10-11H2,1H3,(H,33,34)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070841 (CHEMBL49697 | Sodium; 6-fluoro-2-[4-(2-fluoro-phen...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1F Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)19-13-15(26)9-10-21(19)28-24(14)29-12-11-18-16(6-4-8-22(18)29)17-5-2-3-7-20(17)27/h2-10,13H,11-12H2,1H3,(H,30,31)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284830 (CHEMBL38421 | Sodium; 6-fluoro-3-methyl-2-(4'-meth...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1nc2ccc(F)cc2c(C([O-])=O)c1C Show InChI InChI=1S/C24H18FNO2/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23/h3-13H,1-2H3,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	24	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29029 (cyanohydroxybutenamide, 19) Show SMILES COc1ccccc1-c1ccc(NC(=O)C(C#N)C(C)=O)c(Cl)c1 Show InChI InChI=1/C18H15ClN2O3/c1-11(22)14(10-20)18(23)21-16-8-7-12(9-15(16)19)13-5-3-4-6-17(13)24-2/h3-9,14H,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid PDB UniChem Similars	PDB Article PubMed	25	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM29036 (cyanohydroxybutenamide, 26) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl Show InChI InChI=1/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-12-7-5-11(6-8-12)13-3-2-4-15(18)16(13)19/h2-8,14H,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI PC cid PC sid UniChem Similars	Article PubMed	25	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069958 (CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...) Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070846 (CHEMBL48244 | Sodium; 6-fluoro-3-methyl-2-(4-o-tol...) Show SMILES Cc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C Show InChI InChI=1S/C26H21FN2O2/c1-15-6-3-4-7-18(15)19-8-5-9-23-20(19)12-13-29(23)25-16(2)24(26(30)31)21-14-17(27)10-11-22(21)28-25/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50284846 (2-Biphenyl-4-yl-5-chloro-3-methyl-quinoline-4-carb...) Show SMILES Cc1c(nc2cccc(Cl)c2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16ClNO2/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article	25	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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50069948 (CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...) Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) Article DOI: 10.1016/s0960-894x(98)00010-9 BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50119490 (1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...) Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(19-26(33-35)28(36)31-20-21-7-3-2-4-8-21)29(37)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori				J Med Chem 45: 4669-78 (2002) Article DOI: 10.1021/jm020112w BindingDB Entry DOI: 10.7270/Q2C24VSW
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50070839 (CHEMBL48928 | Sodium; 6-fluoro-3-methyl-2-(5-pheny...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cccc2c(cccc12)-c1ccccc1 Show InChI InChI=1S/C27H18FNO2/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17/h2-15H,1H3,(H,30,31)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...				Bioorg Med Chem Lett 8: 1745-50 (1999) Article DOI: 10.1016/s0960-894x(98)00308-4 BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair

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