Compile Data Set for Download or QSAR

Found 691 hits with Last Name = 'sautebin' and Initial = 'l'   

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 1 (Mus musculus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Università "La Sapienza" Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells				J Med Chem 48: 3428-32 (2005) Article DOI: 10.1021/jm049121q BindingDB Entry DOI: 10.7270/Q2N01628
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492037 (CHEMBL2391055) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1)C#N Show InChI InChI=1S/C19H14F2N2O2S/c1-12-14(11-22)9-19(13-3-6-16(7-4-13)26(2,24)25)23(12)15-5-8-17(20)18(21)10-15/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361590 (CHEMBL1939677) Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50142932 (CHEMBL3759842) Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(12-15-29-14-3-13-24)16-23(26(17)21-8-6-20(25)7-9-21)18-4-10-22(11-5-18)30(2,27)28/h4-11,16H,3,12-15H2,1-2H3	PDB UniProtKB/SwissProt 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
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) Article DOI: 10.1016/j.ejmech.2015.12.044 BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308732 (CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361584 (CHEMBL1939671) Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C23H23FN2O7S/c1-16-18(14-23(27)32-11-4-12-33-26(28)29)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)34(2,30)31/h3,5-10,13,15H,4,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Università "La Sapienza" Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells				J Med Chem 48: 3428-32 (2005) Article DOI: 10.1021/jm049121q BindingDB Entry DOI: 10.7270/Q2N01628
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492043 (CHEMBL2391047) Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)10-19(21(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224129 (CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224118 (CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50517099 (CHEMBL4563969) Show SMILES CCCSCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H26FNO2S2/c1-4-14-28-15-13-19-16-23(18-5-11-22(12-6-18)29(3,26)27)25(17(19)2)21-9-7-20(24)8-10-21/h5-12,16H,4,13-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in LPS-induced mouse J774 cells assessed as inhibition of PEG2 production after 24 hrs by radioimmuno assay				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115045 BindingDB Entry DOI: 10.7270/Q21C2171
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Università "La Sapienza" Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells				J Med Chem 48: 3428-32 (2005) Article DOI: 10.1021/jm049121q BindingDB Entry DOI: 10.7270/Q2N01628
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50142935 (CHEMBL3759195) Show SMILES Cc1c(CCOCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2NO3S/c1-16-18(11-13-28-14-12-23)15-22(25(16)20-7-5-19(24)6-8-20)17-3-9-21(10-4-17)29(2,26)27/h3-10,15H,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) Article DOI: 10.1016/j.ejmech.2015.12.044 BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 15-LO-mediated 15-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition ...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361581 (CHEMBL1939667) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H21NO4S2/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50492035 (CHEMBL2391054) Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020584 (CHEMBL2413471) Show SMILES COc1cc(\C=C\c2cc([nH]n2)-c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C19H18N2O4/c1-24-18-9-12(4-7-16(18)22)3-6-14-11-15(21-20-14)13-5-8-17(23)19(10-13)25-2/h3-11,22-23H,1-2H3,(H,20,21)/b6-3+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020584 (CHEMBL2413471) Show SMILES COc1cc(\C=C\c2cc([nH]n2)-c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C19H18N2O4/c1-24-18-9-12(4-7-16(18)22)3-6-14-11-15(21-20-14)13-5-8-17(23)19(10-13)25-2/h3-11,22-23H,1-2H3,(H,20,21)/b6-3+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50163748 ((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020584 (CHEMBL2413471) Show SMILES COc1cc(\C=C\c2cc([nH]n2)-c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C19H18N2O4/c1-24-18-9-12(4-7-16(18)22)3-6-14-11-15(21-20-14)13-5-8-17(23)19(10-13)25-2/h3-11,22-23H,1-2H3,(H,20,21)/b6-3+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate additi...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of mPGES1-mediated PGE2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition me...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of COX1-mediated PGF2alpha formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of COX1-mediated PGD2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGF2alpha formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50020589 (CHEMBL3290441) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+	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	13	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGD2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition meas...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50142937 (CHEMBL3759726) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3S/c1-4-13-28-14-12-19-15-23(18-8-10-22(11-9-18)29(3,26)27)25(17(19)2)21-7-5-6-20(24)16-21/h5-11,15-16H,4,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) Article DOI: 10.1016/j.ejmech.2015.12.044 BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50517095 (CHEMBL4535137) Show SMILES CCCSCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C23H27NO2S2/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in LPS-induced mouse J774 cells assessed as inhibition of PEG2 production after 24 hrs by radioimmuno assay				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115045 BindingDB Entry DOI: 10.7270/Q21C2171
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308736 (CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...) Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430948 (CHEMBL2337402) Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C22H23FN2O6S/c1-16-18(11-12-30-13-14-31-25(26)27)15-22(24(16)20-7-5-19(23)6-8-20)17-3-9-21(10-4-17)32(2,28)29/h3-10,15H,11-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430957 (CHEMBL2337404) Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C23H26N2O6S/c1-18-20(13-16-30-14-6-15-31-25(26)27)17-23(24(18)21-7-4-3-5-8-21)19-9-11-22(12-10-19)32(2,28)29/h3-5,7-12,17H,6,13-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262934 (CHEMBL477362 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...) Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C22H25NO3S/c1-4-26-15-14-19-16-22(18-10-12-21(13-11-18)27(3,24)25)23(17(19)2)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50430960 (CHEMBL2337400) Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H24N2O6S/c1-17-19(12-13-29-14-15-30-24(25)26)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)31(2,27)28/h3-11,16H,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA				J Med Chem 56: 3191-206 (2013) Article DOI: 10.1021/jm301370e BindingDB Entry DOI: 10.7270/Q2JS9RSB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361587 (CHEMBL1939674) Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H24N2O7S2/c1-16-18(15-23(26)31-12-13-32-25(27)28)14-22(17-4-10-21(11-5-17)34(3,29)30)24(16)19-6-8-20(33-2)9-7-19/h4-11,14H,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262990 (CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50142936 (CHEMBL3758384) Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H25F2NO3S/c1-4-12-29-13-11-18-14-23(17-5-8-20(9-6-17)30(3,27)28)26(16(18)2)19-7-10-21(24)22(25)15-19/h5-10,14-15H,4,11-13H2,1-3H3	PDB UniProtKB/SwissProt 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
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) Article DOI: 10.1016/j.ejmech.2015.12.044 BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50262933 (CHEMBL451358 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...) Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C21H22FNO3S/c1-15-17(12-13-26-2)14-21(23(15)19-8-6-18(22)7-9-19)16-4-10-20(11-5-16)27(3,24)25/h4-11,14H,12-13H2,1-3H3	PDB UniProtKB/SwissProt 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
Universita di Siena Curated by ChEMBL					Assay Description Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay				J Med Chem 51: 4476-81 (2008) Article DOI: 10.1021/jm800084s BindingDB Entry DOI: 10.7270/Q2KH0N55
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50361578 (CHEMBL1939670) Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1 Show InChI InChI=1S/C22H21FN2O7S/c1-15-17(13-22(26)31-10-11-32-25(27)28)12-21(24(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)33(2,29)30/h3-9,12,14H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£"Sapienza" Curated by ChEMBL					Assay Description Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay				J Med Chem 54: 7759-71 (2011) Article DOI: 10.1021/jm200715n BindingDB Entry DOI: 10.7270/Q2W37WR0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50142930 (CHEMBL3759435) Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H24F3NO3S/c1-16-18(10-13-30-12-3-11-24)14-23(17-4-7-20(8-5-17)31(2,28)29)27(16)19-6-9-21(25)22(26)15-19/h4-9,14-15H,3,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay				Eur J Med Chem 109: 99-106 (2016) Article DOI: 10.1016/j.ejmech.2015.12.044 BindingDB Entry DOI: 10.7270/Q2Q2423H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50020588 (CHEMBL270718) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21 Show InChI InChI=1S/C21H13ClN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(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	20	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of mPGES1-mediated PGE2 production in microsomes of IL-1beta stimulated human A549 cells preincubated for 15 mins by RP-HPLC analysis				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50224128 (CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...) Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay				J Med Chem 50: 5403-11 (2007) Article DOI: 10.1021/jm0707525 BindingDB Entry DOI: 10.7270/Q2PK0FV8
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
University Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...				J Med Chem 57: 5638-48 (2014) Article DOI: 10.1021/jm500308c BindingDB Entry DOI: 10.7270/Q2HT2QWN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50308738 (CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...) Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ La Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA				J Med Chem 53: 723-33 (2010) Article DOI: 10.1021/jm901269y BindingDB Entry DOI: 10.7270/Q25X291D
					More data for this Ligand-Target Pair

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