Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'camphausen' and Initial = 'rt'   

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 (Homo sapiens (Human))	BDBM50201921 (2-Biphenyl-4-yl-6-fluoro-3-hydroxy-quinoline-4-car...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(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 PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201923 (3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-quinoline-4...) Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H15NO4/c24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20-21(25)19(22(26)27)17-3-1-2-4-18(17)23-20/h1-12,24-25H,(H,26,27)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201945 (6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(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 PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201919 (6-fluoro-3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-qu...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H14FNO4/c23-15-7-10-18-17(11-15)19(22(27)28)21(26)20(24-18)14-3-1-12(2-4-14)13-5-8-16(25)9-6-13/h1-11,25-26H,(H,27,28)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201905 (3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxyli...) Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201925 (2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARB...) 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201949 (2-biphenyl-4-yl-3-hydroxy-quinoline-4-carboxylic a...) Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H15NO3/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,24H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201918 (3-amino-2-biphenyl-4-yl-6-fluoro-quinoline-4-carbo...) Show SMILES Nc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H15FN2O2/c23-16-10-11-18-17(12-16)19(22(26)27)20(24)21(25-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,24H2,(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 PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201939 (6-fluoro-3-hydroxy-2-(4-(phenylthio)phenyl)quinoli...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO3S/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201900 (6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...) Show SMILES OC(=O)c1c(O)c(nc2ccc(Br)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201940 (2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-c...) Show SMILES Cc1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201913 (2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)qu...) Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-10-4-1-8(2-5-10)14-15(23)13(16(24)25)11-7-9(17(19,20)21)3-6-12(11)22-14/h1-7,23H,(H,24,25)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201934 (2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H9ClFNO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201930 (6-fluoro-3-hydroxy-2-(4-hydroxyphenyl)quinoline-4-...) Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(O)cc1 Show InChI InChI=1S/C16H10FNO4/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(18-12)8-1-4-10(19)5-2-8/h1-7,19-20H,(H,21,22)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201892 (2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...) Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50201901 (2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201920 (2-(4-chlorophenyl)-3-hydroxy-6,8-dimethylquinoline...) Show SMILES Cc1cc(C)c2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-7-10(2)15-13(8-9)14(18(22)23)17(21)16(20-15)11-3-5-12(19)6-4-11/h3-8,21H,1-2H3,(H,22,23)	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50201901 (2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201927 (3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...) Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201936 (2-(4-chlorophenyl)-3-hydroxy-7-methylquinoline-4-c...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClNO3/c1-9-2-7-12-13(8-9)19-15(16(20)14(12)17(21)22)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22)	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2A6				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201901 (2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201897 (3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26)	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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201931 (6-bromo-2-(4-chlorophenyl)-3-hydroxy-8-methylquino...) Show SMILES Cc1cc(Br)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrClNO3/c1-8-6-10(18)7-12-13(17(22)23)16(21)15(20-14(8)12)9-2-4-11(19)5-3-9/h2-7,21H,1H3,(H,22,23)	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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201909 (2-(4-chlorophenyl)-3-hydroxy-6-methoxyquinoline-4-...) Show SMILES COc1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClNO4/c1-23-11-6-7-13-12(8-11)14(17(21)22)16(20)15(19-13)9-2-4-10(18)5-3-9/h2-8,20H,1H3,(H,21,22)	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	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201898 (2-(4-chlorophenyl)-3-hydroxy-5-methylquinoline-4-c...) Show SMILES Cc1cccc2nc(c(O)c(C(O)=O)c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(9)14(17(21)22)16(20)15(19-12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22)	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	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201901 (2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)	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	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201914 (2-(4-bromophenyl)-3-hydroxy-7,8-dimethylquinoline-...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Br)cc1 Show InChI InChI=1S/C18H14BrNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50324667 (1,6-bis[3-(3-carboxymethylphenyl)-4-(2-R-D-mannopy...) Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-selectin-mediated adhesion of HL60 cells				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201902 (2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...) Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)	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	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50201916 (8-sec-butyl-2-(4-chlorophenyl)-3-hydroxyquinoline-...) Show SMILES CCC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClNO3/c1-3-11(2)14-5-4-6-15-16(20(24)25)19(23)17(22-18(14)15)12-7-9-13(21)10-8-12/h4-11,23H,3H2,1-2H3,(H,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-selectin-mediated adhesion of HL60 cells				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50201966 (2-(benzo[b]thiophen-3-ylmethyl)-3-hydroxy-7,8,9,10...) Show SMILES OC(=O)c1c(O)c(Cc2csc3ccccc23)nc2c3CCCCc3ccc12 Show InChI InChI=1S/C23H19NO3S/c25-22-18(11-14-12-28-19-8-4-3-6-15(14)19)24-21-16-7-2-1-5-13(16)9-10-17(21)20(22)23(26)27/h3-4,6,8-10,12,25H,1-2,5,7,11H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-Selectin by Biacore assay				J Med Chem 50: 40-64 (2007) Article DOI: 10.1021/jm060631p BindingDB Entry DOI: 10.7270/Q2BC3Z6X
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50201959 (2-(2-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobe...) Show SMILES OC(=O)c1c(O)c(Cc2ccccc2Cl)nc2c3CCCCc3ccc12 Show InChI InChI=1S/C21H18ClNO3/c22-16-8-4-2-6-13(16)11-17-20(24)18(21(25)26)15-10-9-12-5-1-3-7-14(12)19(15)23-17/h2,4,6,8-10,24H,1,3,5,7,11H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-Selectin by Biacore assay				J Med Chem 50: 40-64 (2007) Article DOI: 10.1021/jm060631p BindingDB Entry DOI: 10.7270/Q2BC3Z6X
					More data for this Ligand-Target Pair
P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50201931 (6-bromo-2-(4-chlorophenyl)-3-hydroxy-8-methylquino...) Show SMILES Cc1cc(Br)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrClNO3/c1-8-6-10(18)7-12-13(17(22)23)16(21)15(20-14(8)12)9-2-4-11(19)5-3-9/h2-7,21H,1H3,(H,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-selectin-mediated adhesion of HL60 cells				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50201984 (2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-...) Show SMILES OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12 Show InChI InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-Selectin by Biacore assay				J Med Chem 50: 40-64 (2007) Article DOI: 10.1021/jm060631p BindingDB Entry DOI: 10.7270/Q2BC3Z6X
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50201978 (2-(4-chlorophenylamino)-3-hydroxy-8-(trifluorometh...) Show SMILES OC(=O)c1c(O)c(Nc2ccc(Cl)cc2)nc2c(cccc12)C(F)(F)F Show InChI InChI=1S/C17H10ClF3N2O3/c18-8-4-6-9(7-5-8)22-15-14(24)12(16(25)26)10-2-1-3-11(13(10)23-15)17(19,20)21/h1-7,24H,(H,22,23)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-Selectin by Biacore assay				J Med Chem 50: 40-64 (2007) Article DOI: 10.1021/jm060631p BindingDB Entry DOI: 10.7270/Q2BC3Z6X
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201933 (2-(4-chlorophenyl)-3-hydroxy-8-(trifluoromethoxy)q...) Show SMILES OC(=O)c1c(O)c(nc2c(OC(F)(F)F)cccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)26-17(19,20)21/h1-7,23H,(H,24,25)	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	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201926 (8-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...) Show SMILES OC(=O)c1c(O)c(nc2c(Br)cccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H9BrClNO3/c17-11-3-1-2-10-12(16(21)22)15(20)13(19-14(10)11)8-4-6-9(18)7-5-8/h1-7,20H,(H,21,22)	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	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201946 (2-(4-chlorophenyl)-3-hydroxy-6-(thiophen-3-yl)quin...) Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)-c1ccsc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H12ClNO3S/c21-14-4-1-11(2-5-14)18-19(23)17(20(24)25)15-9-12(3-6-16(15)22-18)13-7-8-26-10-13/h1-10,23H,(H,24,25)	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	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201941 (6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyqu...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H14ClNO5/c24-16-8-5-13(6-9-16)20-21(26)19(23(29)30)17-11-15(7-10-18(17)25-20)12-1-3-14(4-2-12)22(27)28/h1-11,26H,(H,27,28)(H,29,30)	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	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201938 (2-(4-chlorophenyl)-3-hydroxy-8-trifluoromethylquin...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)17(19,20)21/h1-7,23H,(H,24,25)	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	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50201983 (2-(3-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobe...) Show SMILES OC(=O)c1c(O)c(Cc2cccc(Cl)c2)nc2c3CCCCc3ccc12 Show InChI InChI=1S/C21H18ClNO3/c22-14-6-3-4-12(10-14)11-17-20(24)18(21(25)26)16-9-8-13-5-1-2-7-15(13)19(16)23-17/h3-4,6,8-10,24H,1-2,5,7,11H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-Selectin by Biacore assay				J Med Chem 50: 40-64 (2007) Article DOI: 10.1021/jm060631p BindingDB Entry DOI: 10.7270/Q2BC3Z6X
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50201895 (8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(Cl)cccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22)	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	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50201901 (2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...) Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)	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	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
					More data for this Ligand-Target Pair

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