Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'shaffer' and Initial = 'af'   

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 E synthase (Homo sapiens (Human))	BDBM50435048 (CHEMBL2391142) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435047 (CHEMBL2391299) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H29ClFN3O3/c27-22-14-23-24(13-21(22)17-4-6-19(28)7-5-17)34-26(30-23)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435045 (CHEMBL2391141) Show SMILES CCOc1ccc(cc1)-c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C28H34ClN3O4/c1-2-35-22-8-6-19(7-9-22)23-15-26-25(16-24(23)29)31-28(36-26)32-12-10-20(11-13-32)27(34)30-21-5-3-4-18(14-21)17-33/h6-9,15-16,18,20-21,33H,2-5,10-14,17H2,1H3,(H,30,34)/t18-,21-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435046 (CHEMBL2391140) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-5-2-4-18(12-19)21-13-24-23(14-22(21)28)30-26(34-24)31-9-7-17(8-10-31)25(33)29-20-6-1-3-16(11-20)15-32/h2,4-5,12-14,16-17,20,32H,1,3,6-11,15H2,(H,29,33)/t16-,20-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435044 (CHEMBL2391295) Show SMILES CC(C)c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14(2)18-11-21-20(12-19(18)24)26-23(30-21)27-8-6-16(7-9-27)22(29)25-17-5-3-4-15(10-17)13-28/h11-12,14-17,28H,3-10,13H2,1-2H3,(H,25,29)/t15-,17-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human fetal fibroblast cells assessed as PGF2alpha level after 50 mins by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425313 (CHEMBL2315853) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426956 (CHEMBL2325076) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O3/c1-22(2,32)14-4-3-5-15(10-14)28-20(31)13-6-8-30(9-7-13)21-29-18-12-17(24)16(23(25,26)27)11-19(18)33-21/h11-15,32H,3-10H2,1-2H3,(H,28,31)/t14-,15-/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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426958 (CHEMBL2325074) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14-11-20-19(13-18(14)24)26-22(30-20)27-9-7-15(8-10-27)21(28)25-17-6-4-5-16(12-17)23(2,3)29/h11,13,15-17,29H,4-10,12H2,1-3H3,(H,25,28)/t16-,17-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435043 (CHEMBL2391296) Show SMILES CC(C)Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C24H34ClN3O3/c1-15(2)10-18-12-22-21(13-20(18)25)27-24(31-22)28-8-6-17(7-9-28)23(30)26-19-5-3-4-16(11-19)14-29/h12-13,15-17,19,29H,3-11,14H2,1-2H3,(H,26,30)/t16-,19-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435042 (CHEMBL2391297) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2o1 |r| Show InChI InChI=1S/C20H25Cl2N3O3/c21-15-9-17-18(10-16(15)22)28-20(24-17)25-6-4-13(5-7-25)19(27)23-14-3-1-2-12(8-14)11-26/h9-10,12-14,26H,1-8,11H2,(H,23,27)/t12-,14-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426955 (CHEMBL2325077) Show SMILES CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF4N3O2/c1-22(2,25)14-4-3-5-15(10-14)29-20(32)13-6-8-31(9-7-13)21-30-18-12-17(24)16(23(26,27)28)11-19(18)33-21/h11-15H,3-10H2,1-2H3,(H,29,32)/t14-,15-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426954 (CHEMBL2325078) Show SMILES CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O4S/c1-33(30,31)14-4-2-3-13(9-14)26-19(29)12-5-7-28(8-6-12)20-27-17-11-16(22)15(21(23,24)25)10-18(17)32-20/h10-14H,2-9H2,1H3,(H,26,29)/t13-,14-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435041 (CHEMBL2391294) Show SMILES CCc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-2-15-11-20-19(12-18(15)23)25-22(29-20)26-8-6-16(7-9-26)21(28)24-17-5-3-4-14(10-17)13-27/h11-12,14,16-17,27H,2-10,13H2,1H3,(H,24,28)/t14-,17-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426960 (CHEMBL2325072) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CC1)C(C)(C)O |r,wU:20.22,23.29,(3.97,-46.23,;5.31,-45.46,;6.64,-46.23,;7.97,-45.46,;9.45,-45.94,;10.36,-44.69,;9.45,-43.43,;7.97,-43.91,;6.64,-43.15,;5.31,-43.92,;3.98,-43.15,;11.9,-44.69,;12.66,-46.03,;14.19,-46.03,;14.97,-44.7,;14.2,-43.37,;12.66,-43.36,;16.51,-44.71,;17.28,-43.38,;17.27,-46.04,;18.81,-46.05,;19.58,-44.73,;21.13,-44.74,;21.89,-46.08,;21.11,-47.41,;19.57,-47.4,;23.43,-46.09,;24.21,-44.77,;24.97,-46.09,;24.19,-47.43,)| Show InChI InChI=1S/C23H32ClN3O3/c1-14-12-20-19(13-18(14)24)26-22(30-20)27-10-8-15(9-11-27)21(28)25-17-6-4-16(5-7-17)23(2,3)29/h12-13,15-17,29H,4-11H2,1-3H3,(H,25,28)/t16-,17+	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425318 (CHEMBL2315861) Show SMILES OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)| Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16+	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426964 (CHEMBL2325083) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@H](CO)CC1 |r,wU:20.22,23.26,(25.8,-26.07,;27.13,-25.3,;28.47,-26.07,;29.8,-25.3,;31.27,-25.78,;32.19,-24.53,;31.27,-23.27,;29.8,-23.75,;28.46,-22.99,;27.13,-23.76,;25.8,-22.99,;33.72,-24.53,;34.48,-25.87,;36.01,-25.87,;36.79,-24.54,;36.02,-23.21,;34.48,-23.2,;38.33,-24.55,;39.1,-23.22,;39.09,-25.88,;40.63,-25.89,;41.4,-27.24,;42.93,-27.25,;43.71,-25.92,;45.25,-25.93,;46.01,-27.27,;42.95,-24.58,;41.41,-24.57,)| Show InChI InChI=1S/C21H28ClN3O3/c1-13-10-19-18(11-17(13)22)24-21(28-19)25-8-6-15(7-9-25)20(27)23-16-4-2-14(12-26)3-5-16/h10-11,14-16,26H,2-9,12H2,1H3,(H,23,27)/t14-,16+	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435054 (CHEMBL2391289) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Br)ccc2o1 |r| Show InChI InChI=1S/C20H26BrN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435056 (CHEMBL2391298) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)F |r| Show InChI InChI=1S/C21H26ClF2N3O3/c22-16-10-17-18(9-15(16)19(23)24)30-21(26-17)27-6-4-13(5-7-27)20(29)25-14-3-1-2-12(8-14)11-28/h9-10,12-14,19,28H,1-8,11H2,(H,25,29)/t12-,14-/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	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435048 (CHEMBL2391142) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/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	53	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426966 (CHEMBL2325080) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C20H26ClN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426965 (CHEMBL2325082) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-22(2,28)15-4-3-5-17(12-15)24-20(27)14-8-10-26(11-9-14)21-25-18-13-16(23)6-7-19(18)29-21/h6-7,13-15,17,28H,3-5,8-12H2,1-2H3,(H,24,27)/t15-,17-/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	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426956 (CHEMBL2325076) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O3/c1-22(2,32)14-4-3-5-15(10-14)28-20(31)13-6-8-30(9-7-13)21-29-18-12-17(24)16(23(25,26)27)11-19(18)33-21/h11-15,32H,3-10H2,1-2H3,(H,28,31)/t14-,15-/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435055 (CHEMBL2391293) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(ccc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)15-4-5-18-17(11-15)26-20(30-18)27-8-6-14(7-9-27)19(29)25-16-3-1-2-13(10-16)12-28/h4-5,11,13-14,16,28H,1-3,6-10,12H2,(H,25,29)/t13-,16-/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	88	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426958 (CHEMBL2325074) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14-11-20-19(13-18(14)24)26-22(30-20)27-9-7-15(8-10-27)21(28)25-17-6-4-5-16(12-17)23(2,3)29/h11,13,15-17,29H,4-10,12H2,1-3H3,(H,25,28)/t16-,17-/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	88	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426965 (CHEMBL2325082) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-22(2,28)15-4-3-5-17(12-15)24-20(27)14-8-10-26(11-9-14)21-25-18-13-16(23)6-7-19(18)29-21/h6-7,13-15,17,28H,3-5,8-12H2,1-2H3,(H,24,27)/t15-,17-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435047 (CHEMBL2391299) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H29ClFN3O3/c27-22-14-23-24(13-21(22)17-4-6-19(28)7-5-17)34-26(30-23)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/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	119	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426961 (CHEMBL2325351) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@](O)(CC1)C(F)(F)F |r,wU:23.30,20.22,wD:23.26,(27.36,-38.84,;28.69,-38.07,;30.03,-38.84,;31.36,-38.07,;32.84,-38.55,;33.75,-37.3,;32.84,-36.04,;31.36,-36.52,;30.03,-35.76,;28.7,-36.53,;27.36,-35.76,;35.29,-37.3,;36.05,-38.64,;37.58,-38.64,;38.35,-37.31,;37.59,-35.98,;36.05,-35.97,;39.89,-37.32,;40.67,-35.99,;40.66,-38.66,;42.2,-38.66,;42.97,-37.34,;44.51,-37.35,;45.27,-38.69,;46.61,-39.46,;44.49,-40.02,;42.96,-40.01,;46.6,-37.91,;47.94,-38.68,;46.6,-36.37,;47.93,-37.14,)| Show InChI InChI=1S/C21H25ClF3N3O3/c1-12-10-17-16(11-15(12)22)27-19(31-17)28-8-4-13(5-9-28)18(29)26-14-2-6-20(30,7-3-14)21(23,24)25/h10-11,13-14,30H,2-9H2,1H3,(H,26,29)/t14-,20-	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435045 (CHEMBL2391141) Show SMILES CCOc1ccc(cc1)-c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C28H34ClN3O4/c1-2-35-22-8-6-19(7-9-22)23-15-26-25(16-24(23)29)31-28(36-26)32-12-10-20(11-13-32)27(34)30-21-5-3-4-18(14-21)17-33/h6-9,15-16,18,20-21,33H,2-5,10-14,17H2,1H3,(H,30,34)/t18-,21-/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	133	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435041 (CHEMBL2391294) Show SMILES CCc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-2-15-11-20-19(12-18(15)23)25-22(29-20)26-8-6-16(7-9-26)21(28)24-17-5-3-4-14(10-17)13-27/h11-12,14,16-17,27H,2-10,13H2,1H3,(H,24,28)/t14-,17-/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	162	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/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	174	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/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	174	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426955 (CHEMBL2325077) Show SMILES CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF4N3O2/c1-22(2,25)14-4-3-5-15(10-14)29-20(32)13-6-8-31(9-7-13)21-30-18-12-17(24)16(23(26,27)28)11-19(18)33-21/h11-15H,3-10H2,1-2H3,(H,29,32)/t14-,15-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human 1483 cells assessed as eicosanoid level incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426966 (CHEMBL2325080) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C20H26ClN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/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	206	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426966 (CHEMBL2325080) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C20H26ClN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/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	206	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 94 total )  |  Next  |  Last  >>

Jump to: