Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50033415   

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50344892 (CHEMBL1780187 | ethyl 2-(4-(3-(quinolin-6-yloxy)pr...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC Show InChI InChI=1S/C26H31NO4S/c1-3-5-9-25(26(28)29-4-2)32-23-13-10-21(11-14-23)30-17-7-18-31-22-12-15-24-20(19-22)8-6-16-27-24/h6,8,10-16,19,25H,3-5,7,9,17-18H2,1-2H3	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297888 (2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297879 ((R)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m1/s1	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297881 (2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297885 (2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297887 (2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297884 (2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50344896 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzylidene)h...) Show SMILES CCCC\C(=C/c1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C24H30O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,17H,4-5,7,9,15-16H2,1-3H3,(H,25,26)/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H25F3O4S/c1-2-3-8-20(21(26)27)30-19-11-9-17(10-12-19)28-13-5-14-29-18-7-4-6-16(15-18)22(23,24)25/h4,6-7,9-12,15,20H,2-3,5,8,13-14H2,1H3,(H,26,27)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297887 (2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297892 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzyl)hexano...) Show SMILES CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,21H,4-5,7,9,15-17H2,1-3H3,(H,25,26)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297887 (2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H25F3O4S/c1-2-3-8-20(21(26)27)30-19-11-9-17(10-12-19)28-13-5-14-29-18-7-4-6-16(15-18)22(23,24)25/h4,6-7,9-12,15,20H,2-3,5,8,13-14H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297888 (2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297881 (2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297885 (2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297878 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)he...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297878 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)he...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297888 (2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297884 (2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297879 ((R)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297881 (2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297875 (2-(4-(3-(m-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-9-21(22(23)24)27-20-12-10-18(11-13-20)25-14-6-15-26-19-8-5-7-17(2)16-19/h5,7-8,10-13,16,21H,3-4,6,9,14-15H2,1-2H3,(H,23,24)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297874 (2-(4-(3-(o-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-10-21(22(23)24)27-19-13-11-18(12-14-19)25-15-7-16-26-20-9-6-5-8-17(20)2/h5-6,8-9,11-14,21H,3-4,7,10,15-16H2,1-2H3,(H,23,24)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297883 (2-(4-(3-(3-methoxyphenoxy)propoxy)phenylthio)hexan...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(OC)c2)cc1)C(O)=O Show InChI InChI=1S/C22H28O5S/c1-3-4-9-21(22(23)24)28-20-12-10-17(11-13-20)26-14-6-15-27-19-8-5-7-18(16-19)25-2/h5,7-8,10-13,16,21H,3-4,6,9,14-15H2,1-2H3,(H,23,24)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297876 (2-(4-(3-(p-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(C)cc2)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-6-21(22(23)24)27-20-13-11-19(12-14-20)26-16-5-15-25-18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,24)	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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297885 (2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297892 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzyl)hexano...) Show SMILES CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,21H,4-5,7,9,15-17H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297884 (2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hex...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297880 ((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...) Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297878 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)he...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)	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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297874 (2-(4-(3-(o-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-10-21(22(23)24)27-19-13-11-18(12-14-19)25-15-7-16-26-20-9-6-5-8-17(20)2/h5-6,8-9,11-14,21H,3-4,7,10,15-16H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297876 (2-(4-(3-(p-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(C)cc2)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-6-21(22(23)24)27-20-13-11-19(12-14-20)26-16-5-15-25-18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50344895 (2-(4-(3-(4-chloro-2-methoxyphenoxy)propoxy)phenylt...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)cc2OC)cc1)C(O)=O Show InChI InChI=1S/C22H27ClO5S/c1-3-4-6-21(22(24)25)29-18-10-8-17(9-11-18)27-13-5-14-28-19-12-7-16(23)15-20(19)26-2/h7-12,15,21H,3-6,13-14H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297873 (2-(4-(3-phenoxypropoxy)-phenylthio)hexanoic acid |...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H26O4S/c1-2-3-10-20(21(22)23)26-19-13-11-18(12-14-19)25-16-7-15-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,2-3,7,10,15-16H2,1H3,(H,22,23)	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297886 (2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H25F3O4S/c1-2-3-8-20(21(26)27)30-19-11-9-17(10-12-19)28-13-5-14-29-18-7-4-6-16(15-18)22(23,24)25/h4,6-7,9-12,15,20H,2-3,5,8,13-14H2,1H3,(H,26,27)	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	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297873 (2-(4-(3-phenoxypropoxy)-phenylthio)hexanoic acid |...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H26O4S/c1-2-3-10-20(21(22)23)26-19-13-11-18(12-14-19)25-16-7-15-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,2-3,7,10,15-16H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50344896 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzylidene)h...) Show SMILES CCCC\C(=C/c1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O Show InChI InChI=1S/C24H30O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,17H,4-5,7,9,15-16H2,1-3H3,(H,25,26)/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297891 (3-(4-(3-(2,3-dimethylphenoxy)propoxy)phenyl)propan...) Show SMILES Cc1cccc(OCCCOc2ccc(CCC(O)=O)cc2)c1C Show InChI InChI=1S/C20H24O4/c1-15-5-3-6-19(16(15)2)24-14-4-13-23-18-10-7-17(8-11-18)9-12-20(21)22/h3,5-8,10-11H,4,9,12-14H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50297890 (2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)ac...) Show SMILES Cc1cccc(OCCCOc2ccc(SCC(O)=O)cc2)c1C Show InChI InChI=1S/C19H22O4S/c1-14-5-3-6-18(15(14)2)23-12-4-11-22-16-7-9-17(10-8-16)24-13-19(20)21/h3,5-10H,4,11-13H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50344892 (CHEMBL1780187 | ethyl 2-(4-(3-(quinolin-6-yloxy)pr...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC Show InChI InChI=1S/C26H31NO4S/c1-3-5-9-25(26(28)29-4-2)32-23-13-10-21(11-14-23)30-17-7-18-31-22-12-15-24-20(19-22)8-6-16-27-24/h6,8,10-16,19,25H,3-5,7,9,17-18H2,1-2H3	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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297889 (2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio)hexan...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(O)=O Show InChI InChI=1S/C24H27NO4S/c1-2-3-7-23(24(26)27)30-21-11-8-19(9-12-21)28-15-5-16-29-20-10-13-22-18(17-20)6-4-14-25-22/h4,6,8-14,17,23H,2-3,5,7,15-16H2,1H3,(H,26,27)	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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50344893 (CHEMBL1780186 | ethyl 2-(4-(3-(biphenyl-4-yloxy)pr...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C29H34O4S/c1-3-5-12-28(29(30)31-4-2)34-27-19-17-26(18-20-27)33-22-9-21-32-25-15-13-24(14-16-25)23-10-7-6-8-11-23/h6-8,10-11,13-20,28H,3-5,9,12,21-22H2,1-2H3	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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50344894 (CHEMBL1780185 | ethyl 2-(4-(3-(5,6,7,8-tetrahydron...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(=O)OCC Show InChI InChI=1S/C27H36O4S/c1-3-5-14-26(27(28)29-4-2)32-23-17-15-22(16-18-23)30-19-9-20-31-25-13-8-11-21-10-6-7-12-24(21)25/h8,11,13,15-18,26H,3-7,9-10,12,14,19-20H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair

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