Compile Data Set for Download or QSAR

Found 4225 hits with Last Name = 'batt' and Initial = 'dg'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM12776 (2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C30H27N5O3S/c31-29(32)21-12-15-27-24(17-21)26(18-34-27)25(16-19-6-2-1-3-7-19)30(36)35-22-13-10-20(11-14-22)23-8-4-5-9-28(23)39(33,37)38/h1-15,17-18,25,34H,16H2,(H3,31,32)(H,35,36)(H2,33,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.630	-52.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12778 ((2R)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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
Coagulation factor X (Homo sapiens (Human))	BDBM12786 (3-(2-{[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccc(c3)C(O)=O)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H25FN6O3/c33-25-15-21(39-17-37-28-6-1-2-7-29(28)39)9-11-27(25)38-31(40)23(13-18-4-3-5-20(12-18)32(41)42)24-16-36-26-10-8-19(30(34)35)14-22(24)26/h1-12,14-17,23,36H,13H2,(H3,34,35)(H,38,40)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12781 (5-amidinoindole 15 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C)(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-26(2,20-14-29-21-12-7-16(24(27)28)13-19(20)21)25(33)31-17-8-10-18(11-9-17)32-15-30-22-5-3-4-6-23(22)32/h3-15,29H,1-2H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	-48.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12777 (5-amidinoindole 13a | N-[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-48.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12782 (5-amidinoindole 16 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CCC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C26H24N6O/c1-2-19(21-14-29-22-12-7-16(25(27)28)13-20(21)22)26(33)31-17-8-10-18(11-9-17)32-15-30-23-5-3-4-6-24(23)32/h3-15,19,29H,2H2,1H3,(H3,27,28)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	-48.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12780 (5-amidinoindole 14 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES CC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N Show InChI InChI=1S/C25H22N6O/c1-15(20-13-28-21-11-6-16(24(26)27)12-19(20)21)25(32)30-17-7-9-18(10-8-17)31-14-29-22-4-2-3-5-23(22)31/h2-15,28H,1H3,(H3,26,27)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12775 (2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoy...) Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H21N5O3S/c24-23(25)15-7-10-20-19(11-15)16(13-27-20)12-22(29)28-17-8-5-14(6-9-17)18-3-1-2-4-21(18)32(26,30)31/h1-11,13,27H,12H2,(H3,24,25)(H,28,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12787 (3-(4-aminophenyl)-N-[4-(1H-1,3-benzodiazol-1-yl)ph...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H27N7O/c32-21-8-5-19(6-9-21)15-25(26-17-35-27-14-7-20(30(33)34)16-24(26)27)31(39)37-22-10-12-23(13-11-22)38-18-36-28-3-1-2-4-29(28)38/h1-14,16-18,25,35H,15,32H2,(H3,33,34)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12791 (6-amidinoindole 25 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2ccn(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C31H25FN6O/c32-24-18-23(38-19-35-26-8-4-5-9-27(26)38)12-13-25(24)36-31(39)29(16-20-6-2-1-3-7-20)37-15-14-21-10-11-22(30(33)34)17-28(21)37/h1-15,17-19,29H,16H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12784 (5-amidinoindole 18 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CCc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H27FN6O/c33-26-17-22(39-19-37-29-8-4-5-9-30(29)39)12-15-28(26)38-32(40)23(13-10-20-6-2-1-3-7-20)25-18-36-27-14-11-21(31(34)35)16-24(25)27/h1-9,11-12,14-19,23,36H,10,13H2,(H3,34,35)(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	-46.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12788 (5-amidinoindole 22 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (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	Purchase DrugBank MCE 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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12783 (5-amidinoindole 17 | N-[4-(1H-1,3-benzodiazol-1-yl...) Show SMILES NC(=N)c1ccc2[nH]cc(C(CC3CC3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C28H26N6O/c29-27(30)18-7-12-24-21(14-18)23(15-31-24)22(13-17-5-6-17)28(35)33-19-8-10-20(11-9-19)34-16-32-25-3-1-2-4-26(25)34/h1-4,7-12,14-17,22,31H,5-6,13H2,(H3,29,30)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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
Coagulation factor X (Homo sapiens (Human))	BDBM12789 (5-amidinoindole 23 | N-[4-(2-{[4-(1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C38H31N7O2/c39-36(40)26-12-19-33-30(21-26)32(22-41-33)31(20-24-10-13-27(14-11-24)43-37(46)25-6-2-1-3-7-25)38(47)44-28-15-17-29(18-16-28)45-23-42-34-8-4-5-9-35(34)45/h1-19,21-23,31,41H,20H2,(H3,39,40)(H,43,46)(H,44,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	-43.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12778 ((2R)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12790 (3-(4-benzenesulfonamidophenyl)-N-[4-(1H-1,3-benzod...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C37H31N7O3S/c38-36(39)25-12-19-33-30(21-25)32(22-40-33)31(20-24-10-13-27(14-11-24)43-48(46,47)29-6-2-1-3-7-29)37(45)42-26-15-17-28(18-16-26)44-23-41-34-8-4-5-9-35(34)44/h1-19,21-23,31,40,43H,20H2,(H3,38,39)(H,42,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-43.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	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 (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12779 ((2S)-N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl...) Show SMILES NC(=N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H25FN6O/c32-25-16-21(38-18-36-28-8-4-5-9-29(28)38)11-13-27(25)37-31(39)23(14-19-6-2-1-3-7-19)24-17-35-26-12-10-20(30(33)34)15-22(24)26/h1-13,15-18,23,35H,14H2,(H3,33,34)(H,37,39)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50070833 (CHEMBL417722 | Sodium; 6-fluoro-3-methyl-2-(1-meth...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1ccccc1 Show InChI InChI=1S/C26H19FN2O2/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,30,31)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical 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) BindingDB Entry DOI: 10.7270/Q2Z89BJS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50069941 (CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...) Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
					More data for this Ligand-Target Pair

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