Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50015497   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway 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	45	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000829 (6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156577 (1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156584 (1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...) Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50110484 (3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156594 (3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methane...) Show SMILES COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156580 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156590 (1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156585 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H26F2N2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156587 (3-[(5-cyano-3-fluoro)phenoxymethyl]-1-(4-methanesu...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C#N)cc1-c1ccccc1 Show InChI InChI=1S/C24H18FN3O3S/c1-32(29,30)23-9-7-21(8-10-23)28-24(18-5-3-2-4-6-18)14-20(27-28)16-31-22-12-17(15-26)11-19(25)13-22/h2-14H,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156582 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1 Show InChI InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156582 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1 Show InChI InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156579 (1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytet...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H25Cl2FN2O3/c1-34-28(9-11-35-12-10-28)20-13-21(31)15-24(14-20)36-18-22-16-27(19-5-3-2-4-6-19)33(32-22)23-7-8-25(29)26(30)17-23/h2-8,13-17H,9-12,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156583 (1-(4-methanesulfonylphenyl)-3-[(3,4-dimethoxy)phen...) Show SMILES COc1ccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc1OC Show InChI InChI=1S/C25H24N2O5S/c1-30-24-14-11-21(16-25(24)31-2)32-17-19-15-23(18-7-5-4-6-8-18)27(26-19)20-9-12-22(13-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156586 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1 Show InChI InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156591 (1-(4-methanesulfonylphenyl)-3-[(3-nitro)phenoxymet...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H19N3O5S/c1-32(29,30)22-12-10-19(11-13-22)25-23(17-6-3-2-4-7-17)14-18(24-25)16-31-21-9-5-8-20(15-21)26(27)28/h2-15H,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156577 (1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156580 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)c(C)c2)c1 Show InChI InChI=1S/C30H31FN2O3/c1-21-9-10-27(15-22(21)2)33-29(23-7-5-4-6-8-23)19-26(32-33)20-36-28-17-24(16-25(31)18-28)30(34-3)11-13-35-14-12-30/h4-10,15-19H,11-14,20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156581 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156579 (1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytet...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H25Cl2FN2O3/c1-34-28(9-11-35-12-10-28)20-13-21(31)15-24(14-20)36-18-22-16-27(19-5-3-2-4-6-19)33(32-22)23-7-8-25(29)26(30)17-23/h2-8,13-17H,9-12,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156588 (1-(4-trifluoromethoxyphenyl)-3-[3-fluoro-5-(4-meth...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C29H26F4N2O4/c1-36-28(11-13-37-14-12-28)21-15-22(30)17-26(16-21)38-19-23-18-27(20-5-3-2-4-6-20)35(34-23)24-7-9-25(10-8-24)39-29(31,32)33/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156589 (1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156588 (1-(4-trifluoromethoxyphenyl)-3-[3-fluoro-5-(4-meth...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(OC(F)(F)F)cc2)c1 Show InChI InChI=1S/C29H26F4N2O4/c1-36-28(11-13-37-14-12-28)21-15-22(30)17-26(16-21)38-19-23-18-27(20-5-3-2-4-6-20)35(34-23)24-7-9-25(10-8-24)39-29(31,32)33/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156592 (1-(4-methanesulfonylphenyl)-3-[(3,5-dimethoxy)phen...) Show SMILES COc1cc(OC)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H24N2O5S/c1-30-21-14-22(31-2)16-23(15-21)32-17-19-13-25(18-7-5-4-6-8-18)27(26-19)20-9-11-24(12-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156593 (3-[(3-ethoxy)phenoxymethyl]-1-(4-methanesulfonylph...) Show SMILES CCOc1cccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H24N2O4S/c1-3-30-22-10-7-11-23(17-22)31-18-20-16-25(19-8-5-4-6-9-19)27(26-20)21-12-14-24(15-13-21)32(2,28)29/h4-17H,3,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156578 (1-(4-methanesulfonylphenyl)-3-[3-(4-morpholino)phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)N2CCOCC2)cc1-c1ccccc1 Show InChI InChI=1S/C27H27N3O4S/c1-35(31,32)26-12-10-23(11-13-26)30-27(21-6-3-2-4-7-21)18-22(28-30)20-34-25-9-5-8-24(19-25)29-14-16-33-17-15-29/h2-13,18-19H,14-17,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156586 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1 Show InChI InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156589 (1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50156585 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H26F2N2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156585 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H26F2N2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156586 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(C)cc2)c1 Show InChI InChI=1S/C29H29FN2O3/c1-21-8-10-26(11-9-21)32-28(22-6-4-3-5-7-22)19-25(31-32)20-35-27-17-23(16-24(30)18-27)29(33-2)12-14-34-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156589 (1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahy...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C28H26ClFN2O3/c1-33-28(11-13-34-14-12-28)21-15-23(30)17-26(16-21)35-19-24-18-27(20-5-3-2-4-6-20)32(31-24)25-9-7-22(29)8-10-25/h2-10,15-18H,11-14,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156582 (3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...) Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccccc2)c1 Show InChI InChI=1S/C28H27FN2O3/c1-32-28(12-14-33-15-13-28)22-16-23(29)18-26(17-22)34-20-24-19-27(21-8-4-2-5-9-21)31(30-24)25-10-6-3-7-11-25/h2-11,16-19H,12-15,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156590 (1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156591 (1-(4-methanesulfonylphenyl)-3-[(3-nitro)phenoxymet...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1 Show InChI InChI=1S/C23H19N3O5S/c1-32(29,30)22-12-10-19(11-13-22)25-23(17-6-3-2-4-7-17)14-18(24-25)16-31-21-9-5-8-20(15-21)26(27)28/h2-15H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156584 (1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...) Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156583 (1-(4-methanesulfonylphenyl)-3-[(3,4-dimethoxy)phen...) Show SMILES COc1ccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc1OC Show InChI InChI=1S/C25H24N2O5S/c1-30-24-14-11-21(16-25(24)31-2)32-17-19-15-23(18-7-5-4-6-8-18)27(26-19)20-9-12-22(13-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156578 (1-(4-methanesulfonylphenyl)-3-[3-(4-morpholino)phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cccc(c2)N2CCOCC2)cc1-c1ccccc1 Show InChI InChI=1S/C27H27N3O4S/c1-35(31,32)26-12-10-23(11-13-26)30-27(21-6-3-2-4-7-21)18-22(28-30)20-34-25-9-5-8-24(19-25)29-14-16-33-17-15-29/h2-13,18-19H,14-17,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156587 (3-[(5-cyano-3-fluoro)phenoxymethyl]-1-(4-methanesu...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C#N)cc1-c1ccccc1 Show InChI InChI=1S/C24H18FN3O3S/c1-32(29,30)23-9-7-21(8-10-23)28-24(18-5-3-2-4-6-18)14-20(27-28)16-31-22-12-17(15-26)11-19(25)13-22/h2-14H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156594 (3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methane...) Show SMILES COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156593 (3-[(3-ethoxy)phenoxymethyl]-1-(4-methanesulfonylph...) Show SMILES CCOc1cccc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H24N2O4S/c1-3-30-22-10-7-11-23(17-22)31-18-20-16-25(19-8-5-4-6-9-19)27(26-20)21-12-14-24(15-13-21)32(2,28)29/h4-17H,3,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50156592 (1-(4-methanesulfonylphenyl)-3-[(3,5-dimethoxy)phen...) Show SMILES COc1cc(OC)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H24N2O5S/c1-30-21-14-22(31-2)16-23(15-21)32-17-19-13-25(18-7-5-4-6-8-18)27(26-19)20-9-11-24(12-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156590 (1-(4-methanesulfonylphenyl)-3-[(3,4-methylenedioxy...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(COc2ccc3OCOc3c2)cc1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-32(27,28)21-10-7-19(8-11-21)26-22(17-5-3-2-4-6-17)13-18(25-26)15-29-20-9-12-23-24(14-20)31-16-30-23/h2-14H,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156584 (1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...) Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50156592 (1-(4-methanesulfonylphenyl)-3-[(3,5-dimethoxy)phen...) Show SMILES COc1cc(OC)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C25H24N2O5S/c1-30-21-14-22(31-2)16-23(15-21)32-17-19-13-25(18-7-5-4-6-8-18)27(26-19)20-9-11-24(12-10-20)33(3,28)29/h4-16H,17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay				J Med Chem 47: 6195-206 (2004) Article DOI: 10.1021/jm0407761 BindingDB Entry DOI: 10.7270/Q2DR2V01
					More data for this Ligand-Target Pair

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