Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'creason' and Initial = 's'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234534 (CHEMBL4088945) Show SMILES Cl.Cc1cc(C)cc(COc2ccc(cc2)N(CCN)C(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C24H24Cl2N2O2/c1-16-11-17(2)13-18(12-16)15-30-21-6-4-20(5-7-21)28(10-9-27)24(29)22-8-3-19(25)14-23(22)26/h3-8,11-14H,9-10,15,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234536 (CHEMBL4065918) Show SMILES Cl.NCCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClF4N2O2/c24-16-3-1-15(2-4-16)14-32-19-8-6-18(7-9-19)30(12-11-29)22(31)20-10-5-17(25)13-21(20)23(26,27)28/h1-10,13H,11-12,14,29H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234532 (CHEMBL4095951) Show SMILES Cl.CC(C)c1ccc(COc2ccc(cc2)N(CCN)C(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H26Cl2N2O2/c1-17(2)19-5-3-18(4-6-19)16-31-22-10-8-21(9-11-22)29(14-13-28)25(30)23-12-7-20(26)15-24(23)27/h3-12,15,17H,13-14,16,28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					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))	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))	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)	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234535 (CHEMBL4097622) Show SMILES Cl.NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13Cl3N2O/c16-10-1-4-12(5-2-10)20(8-7-19)15(21)13-6-3-11(17)9-14(13)18/h1-6,9H,7-8,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234489 (CHEMBL4070447) Show SMILES Cl.NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 Show InChI InChI=1S/C15H13Cl2FN2O/c16-10-1-6-13(14(17)9-10)15(21)20(8-7-19)12-4-2-11(18)3-5-12/h1-6,9H,7-8,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					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)	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)	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234533 (CHEMBL4080366) Show SMILES Cl.CC(C)c1ccc(COc2ccc(cc2)N(CCN)C(=O)c2cccnc2C(F)(F)F)cc1 Show InChI InChI=1S/C25H26F3N3O2/c1-17(2)19-7-5-18(6-8-19)16-33-21-11-9-20(10-12-21)31(15-13-29)24(32)22-4-3-14-30-23(22)25(26,27)28/h3-12,14,17H,13,15-16,29H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50234531 (CHEMBL4089012) Show SMILES Cl.NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H19Cl3N2O2/c23-16-3-1-15(2-4-16)14-29-19-8-6-18(7-9-19)27(12-11-26)22(28)20-10-5-17(24)13-21(20)25/h1-10,13H,11-12,14,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem 25: 1571-1584 (2017) Article DOI: 10.1016/j.bmc.2016.11.019 BindingDB Entry DOI: 10.7270/Q20004C6
					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)	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 (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 [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 [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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	280	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)	BDBM50345400 (CHEMBL1784556 | N-(4-Butylphenyl)-5-methyl-[1,2,4]...) Show SMILES CCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C16H19N5/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-12(2)19-16-17-11-18-21(15)16/h6-11,20H,3-5H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	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))	BDBM28840 (N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,...) Show SMILES Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1 Show InChI InChI=1S/C14H15N5/c1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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 [100-517] (Plasmodium berghei)	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	380	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)	BDBM50345419 (CHEMBL1784562 | N-(4-Cyclopropylphenyl)-5-methyl-[...) Show SMILES Cc1cc(Nc2ccc(cc2)C2CC2)n2ncnc2n1 Show InChI InChI=1S/C15H15N5/c1-10-8-14(20-15(18-10)16-9-17-20)19-13-6-4-12(5-7-13)11-2-3-11/h4-9,11,19H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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))	BDBM28838 (N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,...) Show SMILES Cc1cc(Nc2ccc(Br)c(c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H9BrF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(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	450	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)	BDBM50345387 (CHEMBL1784589 | N-(2,3-Dihydro-1H-inden-2-yl)-5-me...) Show SMILES Cc1cc(NC2Cc3ccccc3C2)n2ncnc2n1 Show InChI InChI=1S/C15H15N5/c1-10-6-14(20-15(18-10)16-9-17-20)19-13-7-11-4-2-3-5-12(11)8-13/h2-6,9,13,19H,7-8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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)	BDBM50345388 (5-Methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,...) 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/h2-5,8,10,14,20H,6-7,9H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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)	BDBM50345404 (CHEMBL1784576 | N-(3,4-Bis(trifluoromethyl)phenyl)...) Show SMILES Cc1cc(Nc2ccc(c(c2)C(F)(F)F)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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)	BDBM50345405 (CHEMBL1784575 | N-(4-Chloro-3-fluorophenyl)-5-meth...) Show SMILES Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1 Show InChI InChI=1S/C12H9ClFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h2-6,18H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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)	BDBM50345415 (5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...) Show SMILES Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5S/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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)	BDBM50345389 (CHEMBL1784590 | N-(5-Fluoro-2,3-dihydro-1H-inden-2...) Show SMILES Cc1cc(NC2Cc3ccc(F)cc3C2)n2ncnc2n1 Show InChI InChI=1S/C15H14FN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	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)	BDBM50345402 (CHEMBL1714424 | N-(4-Ethylphenyl)-5-methyl-[1,2,4]...) Show SMILES CCc1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C14H15N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h4-9,18H,3H2,1-2H3	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	610	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)	BDBM50345390 (CHEMBL1784594 | N-(6-Fluoro-1,2,3,4-tetrahydronaph...) Show SMILES Cc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1 Show InChI InChI=1S/C16H16FN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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)	BDBM50345391 (CHEMBL1784595 | N-(6-Choro-1,2,3,4-tetrahydronapht...) Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2ncnc2n1 Show InChI InChI=1S/C16H16ClN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	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)	BDBM50345434 (5-Ethyl-N-(4-trifluoromethyl)phenyl-[1,2,4]triazol...) Show SMILES CCc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C14H12F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h3-8,20H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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))	BDBM28815 (N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]p...) Show SMILES Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1 Show InChI InChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345418 (CHEMBL1784563 | N-(4-Vinylphenyl)-5-methyl-[1,2,4]...) Show SMILES Cc1cc(Nc2ccc(C=C)cc2)n2ncnc2n1 Show InChI InChI=1S/C14H13N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h3-9,18H,1H2,2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	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))	BDBM28837 (N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(Cl)c(c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H9ClF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17/h2-6,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	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)	BDBM50345412 (CHEMBL582694 | GNF-Pf-2905 | N1,N1-Dimethyl-N4-(5-...) Show SMILES CN(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3	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	820	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)	BDBM50345399 (CHEMBL1784557 | N-(4-Pentylphenyl)-5-methyl-[1,2,4...) Show SMILES CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C17H21N5/c1-3-4-5-6-14-7-9-15(10-8-14)21-16-11-13(2)20-17-18-12-19-22(16)17/h7-12,21H,3-6H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	820	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))	BDBM28842 (N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1 Show InChI InChI=1S/C13H12FN5/c1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	860	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)	BDBM50345401 (CHEMBL1784555 | N-(4-Propylphenyl)-5-methyl-[1,2,4...) Show SMILES CCCc1ccc(Nc2cc(C)nc3ncnn23)cc1 Show InChI InChI=1S/C15H17N5/c1-3-4-12-5-7-13(8-6-12)19-14-9-11(2)18-15-16-10-17-20(14)15/h5-10,19H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	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)	BDBM50345407 (2-Methyl-2-(4-(5-methyl-[1,2,4]triazolo[1,5-a]pyri...) Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C#N)n2ncnc2n1 Show InChI InChI=1S/C16H16N6/c1-11-8-14(22-15(20-11)18-10-19-22)21-13-6-4-12(5-7-13)16(2,3)9-17/h4-8,10,21H,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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)	BDBM50345417 (CHEMBL1784564 | N-(4-Ethynylphenyl)-5-methyl-[1,2,...) Show SMILES Cc1cc(Nc2ccc(cc2)C#C)n2ncnc2n1 Show InChI InChI=1S/C14H11N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h1,4-9,18H,2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	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))	BDBM28819 (5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]tri...) Show SMILES Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5O/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345392 (CHEMBL1784591 | N-(5-Bromo-2,3-dihydro-1H-inden-2-...) Show SMILES Cc1cc(NC2Cc3ccc(Br)cc3C2)n2ncnc2n1 Show InChI InChI=1S/C15H14BrN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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)	BDBM28815 (N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]p...) Show SMILES Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1 Show InChI InChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	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)	BDBM50345440 (CHEMBL1784717 | N-(3-fluoro-4-methylphenyl)-6,7-di...) Show SMILES Cc1ccc(Nc2c3CCCc3nc3ncnn23)cc1F Show InChI InChI=1S/C15H14FN5/c1-9-5-6-10(7-12(9)16)19-14-11-3-2-4-13(11)20-15-17-8-18-21(14)15/h5-8,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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

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