Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'gujjar' and Initial = 'r'   

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 (Plasmodium falciparum (isolate 3D7))	BDBM50018008 (CHEMBL3289671 | US9238653, Table 5, Compound 43) Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C15H10F7N5/c1-6-3-10(27-13(23-6)25-12(26-27)14(2,18)19)24-7-4-8(16)11(9(17)5-7)15(20,21)22/h3-5,24H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50018006 (CHEMBL3289672 | US9238653, Table 5, Compound 49) Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C14H7F8N5/c1-5-2-9(27-12(23-5)25-11(26-27)14(20,21)22)24-6-3-7(15)10(8(16)4-6)13(17,18)19/h2-4,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365232 (CHEMBL1956283 | US9238653, Table 5, Compound 54) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12ClF2N5/c1-8-7-11(19-10-5-3-9(15)4-6-10)22-13(18-8)20-12(21-22)14(2,16)17/h3-7,19H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365230 (CHEMBL1956285 | US11903936, Compound DSM265 | US92...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345441 (5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...) Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365225 (CHEMBL1956290 | US9238653, Table 5, Compound 14) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C14H9F6N5/c1-7-6-10(22-9-4-2-8(3-5-9)13(15,16)17)25-12(21-7)23-11(24-25)14(18,19)20/h2-6,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345406 (CHEMBL1784574 | N-(4-tert-Butyl-3-fluorophenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(C)(C)C)n2ncnc2n1 Show InChI InChI=1S/C16H18FN5/c1-10-7-14(22-15(20-10)18-9-19-22)21-11-5-6-12(13(17)8-11)16(2,3)4/h5-9,21H,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50018007 (CHEMBL3289670 | US9238653, Table 5, Compound 42) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C15H11F6N5/c1-7-5-11(26-13(22-7)24-12(25-26)14(2,17)18)23-8-3-4-9(10(16)6-8)15(19,20)21/h3-6,23H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365231 (CHEMBL1738786 | US9238653, Table 5, Compound 7) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C15H12F5N5/c1-8-7-11(22-10-5-3-9(4-6-10)15(18,19)20)25-13(21-8)23-12(24-25)14(2,16)17/h3-7,22H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173505 (US9238653, Table 5, Compound 44) Show SMILES COc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C13H12F5N5OS/c1-8-7-11(23-12(19-8)21-13(22-23)24-2)20-9-3-5-10(6-4-9)25(14,15,16,17)18/h3-7,20H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173492 (US9238653, Table 5, Compound 15) Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C17H16F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h6-9,22H,2-5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24400 (5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...) Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	20
University of Washington at Seattle					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: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24400 (5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...) Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	20
University of Texas Southwestern Medical Center at Dallas					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 51: 3649-53 (2008) Article DOI: 10.1021/jm8001026 BindingDB Entry DOI: 10.7270/Q2PV6HNF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24413 (JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...) Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1 Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	8.0	20
University of Texas Southwestern Medical Center at Dallas					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 51: 3649-53 (2008) Article DOI: 10.1021/jm8001026 BindingDB Entry DOI: 10.7270/Q2PV6HNF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24413 (JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...) Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1 Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	8.0	20
University of Washington at Seattle					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: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345406 (CHEMBL1784574 | N-(4-tert-Butyl-3-fluorophenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(C)(C)C)n2ncnc2n1 Show InChI InChI=1S/C16H18FN5/c1-10-7-14(22-15(20-10)18-9-19-22)21-11-5-6-12(13(17)8-11)16(2,3)4/h5-9,21H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345441 (5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...) Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365226 (CHEMBL1956289 | US9238653, Table 5, Compound 52) Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C15H14F7N5S/c1-3-15(16,17)13-25-14-23-9(2)8-12(27(14)26-13)24-10-4-6-11(7-5-10)28(18,19,20,21)22/h4-8,24H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50396723 (CHEMBL2172226 | US9238653, Table 5, Compound 2) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ccnc2n1 Show InChI InChI=1S/C14H11F3N4/c1-9-8-12(21-7-6-18-13(21)19-9)20-11-4-2-10(3-5-11)14(15,16)17/h2-8,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM28843 (N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H9F4N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17/h2-6,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					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: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345420 (CHEMBL1784561 | N-(4-tert-Butylphenyl)-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C)n2ncnc2n1 Show InChI InChI=1S/C16H19N5/c1-11-9-14(21-15(19-11)17-10-18-21)20-13-7-5-12(6-8-13)16(2,3)4/h5-10,20H,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345385 (CHEMBL1784580 | N-(Benzo[b]thiophen-5-yl)-5-methyl...) Show SMILES Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1 Show InChI InChI=1S/C14H11N5S/c1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12/h2-8,18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345385 (CHEMBL1784580 | N-(Benzo[b]thiophen-5-yl)-5-methyl...) Show SMILES Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1 Show InChI InChI=1S/C14H11N5S/c1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12/h2-8,18H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173488 (US9238653, Table 5, Compound 4) Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9ClF3N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365233 (CHEMBL1956279 | US9238653, Table 5, Compound 53) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C1CC1 Show InChI InChI=1S/C15H14F5N5S/c1-9-8-13(25-15(21-9)23-14(24-25)10-2-3-10)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-8,10,22H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345441 (5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...) Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365241 (CHEMBL1956269 | US9238653, Table 5, Compound 51) Show SMILES CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C15H16F5N5S/c1-9(2)14-23-15-21-10(3)8-13(25(15)24-14)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-9,22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365242 (CHEMBL1956268 | US9238653, Table 5, Compound 45) Show SMILES CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1 Show InChI InChI=1S/C16H16F3N5/c1-9(2)14-22-15-20-10(3)8-13(24(15)23-14)21-12-6-4-11(5-7-12)16(17,18)19/h4-9,21H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345414 (CHEMBL1784567 | N-(4-Pentafluorosulfenylphenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C12H10F5N5S/c1-8-6-11(22-12(20-8)18-7-19-22)21-9-2-4-10(5-3-9)23(13,14,15,16)17/h2-7,21H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173497 (US9238653, Table 5, Compound 21) Show SMILES Cc1cc(Nc2ccc3CCCc3c2)n2ccnc2n1 Show InChI InChI=1S/C16H16N4/c1-11-9-15(20-8-7-17-16(20)18-11)19-14-6-5-12-3-2-4-13(12)10-14/h5-10,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365224 (CHEMBL1956291 | US9238653, Table 5, Compound 29) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173491 (US9238653, Table 5, Compound 12) Show SMILES Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C14H11ClF3N5/c1-7-3-4-9(6-10(7)15)20-11-5-8(2)19-13-21-12(14(16,17)18)22-23(11)13/h3-6,20H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365234 (CHEMBL1956278 | US9238653, Table 5, Compound 47) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C1CC1 Show InChI InChI=1S/C16H14F3N5/c1-9-8-13(21-12-6-4-11(5-7-12)16(17,18)19)24-15(20-9)22-14(23-24)10-2-3-10/h4-8,10,21H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173495 (US9238653, Table 5, Compound 18) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ccnc2n1 Show InChI InChI=1S/C14H10F4N4/c1-8-6-12(22-5-4-19-13(22)20-8)21-9-2-3-10(11(15)7-9)14(16,17)18/h2-7,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365243 (CHEMBL1956265 | US9238653, Table 5, Compound 50) Show SMILES CCc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C14H14F5N5S/c1-3-12-22-14-20-9(2)8-13(24(14)23-12)21-10-4-6-11(7-5-10)25(15,16,17,18)19/h4-8,21H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24403 (5,6-dimethyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1...) Show SMILES Cc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C Show InChI InChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	20
University of Texas Southwestern Medical Center at Dallas					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 51: 3649-53 (2008) Article DOI: 10.1021/jm8001026 BindingDB Entry DOI: 10.7270/Q2PV6HNF
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345414 (CHEMBL1784567 | N-(4-Pentafluorosulfenylphenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C12H10F5N5S/c1-8-6-11(22-12(20-8)18-7-19-22)21-9-2-4-10(5-3-9)23(13,14,15,16)17/h2-7,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345436 (5-Chloro-N-(4-trifluoromethyl)phenyl)-[1,2,4]triaz...) Show SMILES FC(F)(F)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1 Show InChI InChI=1S/C12H7ClF3N5/c13-9-5-10(21-11(20-9)17-6-18-21)19-8-3-1-7(2-4-8)12(14,15)16/h1-6,19H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24402 (5-ethyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]...) Show SMILES CCc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C17H15N5/c1-2-14-10-16(22-17(21-14)18-11-19-22)20-15-8-7-12-5-3-4-6-13(12)9-15/h3-11,20H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	20
University of Texas Southwestern Medical Center at Dallas					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 51: 3649-53 (2008) Article DOI: 10.1021/jm8001026 BindingDB Entry DOI: 10.7270/Q2PV6HNF
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H8F5N5/c1-6-2-10(23-12(21-6)19-5-20-23)22-7-3-8(14)11(9(15)4-7)13(16,17)18/h2-5,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50365227 (CHEMBL1956288 | US9238653, Table 5, Compound 46) Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1 Show InChI InChI=1S/C16H14F5N5/c1-3-15(17,18)13-24-14-22-9(2)8-12(26(14)25-13)23-11-6-4-10(5-7-11)16(19,20)21/h4-8,23H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM50345442 (CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...) Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H8F5N5/c1-6-2-10(23-12(21-6)19-5-20-23)22-7-3-8(14)11(9(15)4-7)13(16,17)18/h2-5,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173496 (US9238653, Table 5, Compound 19) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ccnc2n1 Show InChI InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24401 (N-(naphthalen-2-yl)-5-(trifluoromethyl)-[1,2,4]tri...) Show SMILES FC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-8-14(24-15(23-13)20-9-21-24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	8.0	20
University of Texas Southwestern Medical Center at Dallas					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 51: 3649-53 (2008) Article DOI: 10.1021/jm8001026 BindingDB Entry DOI: 10.7270/Q2PV6HNF
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173489 (US9238653, Table 5, Compound 5) Show SMILES Cc1cc(C)cc(Nc2cc(C)nc3nc(nn23)C(F)(F)F)c1 Show InChI InChI=1S/C15H14F3N5/c1-8-4-9(2)6-11(5-8)20-12-7-10(3)19-14-21-13(15(16,17)18)22-23(12)14/h4-7,20H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345421 (CHEMBL600255 | N-(4-isopropylphenyl)-5-methyl-[1,2...) Show SMILES CC(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345443 (CHEMBL586157 | N-(2,3-Dihydro1H-inden-5-yl)-5-meth...) Show SMILES Cc1cc(Nc2ccc3CCCc3c2)n2ncnc2n1 Show InChI InChI=1S/C15H15N5/c1-10-7-14(20-15(18-10)16-9-17-20)19-13-6-5-11-3-2-4-12(11)8-13/h5-9,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517] (Plasmodium berghei)	BDBM24400 (5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...) Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					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: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM173490 (US9238653, Table 5, Compound 6) Show SMILES CC(C)c1ccc(Nc2c3CCCc3nc3ncnn23)cc1 Show InChI InChI=1S/C17H19N5/c1-11(2)12-6-8-13(9-7-12)20-16-14-4-3-5-15(14)21-17-18-10-19-22(16)17/h6-11,20H,3-5H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	8.0	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON US Patent					Assay Description For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...				US Patent US9238653 (2016) BindingDB Entry DOI: 10.7270/Q2D79954
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517] (Plasmodium berghei)	BDBM28843 (N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H9F4N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17/h2-6,21H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					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: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair

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