Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'gooding' and Initial = 'k'   

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))	BDBM50233283 (CHEMBL4102262) Show SMILES OC(=O)c1ccc(Cl)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H30ClF3N2O3/c28-21-8-11-23(26(35)36)19(16-21)5-4-17-2-1-3-24(17)32-25(34)18-12-14-33(15-13-18)22-9-6-20(7-10-22)27(29,30)31/h6-11,16-18,24H,1-5,12-15H2,(H,32,34)(H,35,36)/t17-,24-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233285 (CHEMBL4101413) Show SMILES Cc1cccc2ccc(nc12)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1CCc1ccccc1C(O)=O |r| Show InChI InChI=1S/C30H35N3O3/c1-20-6-4-9-23-14-15-27(32-28(20)23)33-18-16-24(17-19-33)29(34)31-26-11-5-8-22(26)13-12-21-7-2-3-10-25(21)30(35)36/h2-4,6-7,9-10,14-15,22,24,26H,5,8,11-13,16-19H2,1H3,(H,31,34)(H,35,36)/t22-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233283 (CHEMBL4102262) Show SMILES OC(=O)c1ccc(Cl)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H30ClF3N2O3/c28-21-8-11-23(26(35)36)19(16-21)5-4-17-2-1-3-24(17)32-25(34)18-12-14-33(15-13-18)22-9-6-20(7-10-22)27(29,30)31/h6-11,16-18,24H,1-5,12-15H2,(H,32,34)(H,35,36)/t17-,24-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233281 (CHEMBL4084995) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H31F3N2O4/c28-27(29,30)36-22-12-10-21(11-13-22)32-16-14-20(15-17-32)25(33)31-24-7-3-5-19(24)9-8-18-4-1-2-6-23(18)26(34)35/h1-2,4,6,10-13,19-20,24H,3,5,7-9,14-17H2,(H,31,33)(H,34,35)/t19-,24-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233277 (CHEMBL4085873) Show SMILES Cc1ccc(C(O)=O)c(CC[C@@H]2CCC[C@@H]2NC(=O)C2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C28H33F3N2O3/c1-18-5-12-24(27(35)36)21(17-18)7-6-19-3-2-4-25(19)32-26(34)20-13-15-33(16-14-20)23-10-8-22(9-11-23)28(29,30)31/h5,8-12,17,19-20,25H,2-4,6-7,13-16H2,1H3,(H,32,34)(H,35,36)/t19-,25-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194190 (CHEMBL3956184) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCC[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-17-6-4-8-19-10-11-22(27-23(17)19)28-13-12-21(25(2,3)16-28)24(30)26-20-9-5-7-18(14-20)15-29/h4,6,8,10-11,18,20-21,29H,5,7,9,12-16H2,1-3H3,(H,26,30)/t18-,20-,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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194190 (CHEMBL3956184) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCC[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-17-6-4-8-19-10-11-22(27-23(17)19)28-13-12-21(25(2,3)16-28)24(30)26-20-9-5-7-18(14-20)15-29/h4,6,8,10-11,18,20-21,29H,5,7,9,12-16H2,1-3H3,(H,26,30)/t18-,20-,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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233278 (CHEMBL4064335) Show SMILES OC(=O)c1ccc(F)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H30F4N2O3/c28-21-8-11-23(26(35)36)19(16-21)5-4-17-2-1-3-24(17)32-25(34)18-12-14-33(15-13-18)22-9-6-20(7-10-22)27(29,30)31/h6-11,16-18,24H,1-5,12-15H2,(H,32,34)(H,35,36)/t17-,24-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233284 (CHEMBL4071976) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H31F3N2O3/c28-27(29,30)21-10-12-22(13-11-21)32-16-14-20(15-17-32)25(33)31-24-7-3-5-19(24)9-8-18-4-1-2-6-23(18)26(34)35/h1-2,4,6,10-13,19-20,24H,3,5,7-9,14-17H2,(H,31,33)(H,34,35)/t19-,24-/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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233280 (CHEMBL4063350) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)20-10-11-23(30-16-20)32-14-12-19(13-15-32)24(33)31-22-7-3-5-18(22)9-8-17-4-1-2-6-21(17)25(34)35/h1-2,4,6,10-11,16,18-19,22H,3,5,7-9,12-15H2,(H,31,33)(H,34,35)/t18-,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	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233276 (CHEMBL4078000) Show SMILES OC(=O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H28ClF3N2O4/c27-19-6-9-21(25(34)35)23(14-19)36-15-17-2-1-3-22(17)31-24(33)16-10-12-32(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22H,1-3,10-13,15H2,(H,31,33)(H,34,35)/t17-,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	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233274 (CHEMBL4067045) Show SMILES OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClN3O3/c26-19-9-10-21(25(31)32)23(15-19)27-16-18-5-4-8-22(18)28-24(30)17-11-13-29(14-12-17)20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,22,27H,4-5,8,11-14,16H2,(H,28,30)(H,31,32)/t18-,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	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194141 (CHEMBL3938686) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)| Show InChI InChI=1S/C25H35N3O2/c1-17-5-4-6-19-9-12-22(27-23(17)19)28-14-13-21(25(2,3)16-28)24(30)26-20-10-7-18(15-29)8-11-20/h4-6,9,12,18,20-21,29H,7-8,10-11,13-16H2,1-3H3,(H,26,30)/t18-,20+,21-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194138 (CHEMBL3928608) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194190 (CHEMBL3956184) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCC[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C25H35N3O2/c1-17-6-4-8-19-10-11-22(27-23(17)19)28-13-12-21(25(2,3)16-28)24(30)26-20-9-5-7-18(14-20)15-29/h4,6,8,10-11,18,20-21,29H,5,7,9,12-16H2,1-3H3,(H,26,30)/t18-,20-,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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194140 (CHEMBL3947494) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@H]1CCC[C@H](CO)C1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H31F3N2O2/c1-21(2)14-27(18-8-6-16(7-9-18)22(23,24)25)11-10-19(21)20(29)26-17-5-3-4-15(12-17)13-28/h6-9,15,17,19,28H,3-5,10-14H2,1-2H3,(H,26,29)/t15-,17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233277 (CHEMBL4085873) Show SMILES Cc1ccc(C(O)=O)c(CC[C@@H]2CCC[C@@H]2NC(=O)C2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C28H33F3N2O3/c1-18-5-12-24(27(35)36)21(17-18)7-6-19-3-2-4-25(19)32-26(34)20-13-15-33(16-14-20)23-10-8-22(9-11-23)28(29,30)31/h5,8-12,17,19-20,25H,2-4,6-7,13-16H2,1H3,(H,32,34)(H,35,36)/t19-,25-/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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233275 (CHEMBL4094518) Show SMILES OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H29ClF3N3O3/c27-19-6-9-21(25(35)36)23(14-19)31-15-17-2-1-3-22(17)32-24(34)16-10-12-33(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22,31H,1-3,10-13,15H2,(H,32,34)(H,35,36)/t17-,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	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233275 (CHEMBL4094518) Show SMILES OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H29ClF3N3O3/c27-19-6-9-21(25(35)36)23(14-19)31-15-17-2-1-3-22(17)32-24(34)16-10-12-33(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22,31H,1-3,10-13,15H2,(H,32,34)(H,35,36)/t17-,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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by IL-1beta addi...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233275 (CHEMBL4094518) Show SMILES OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H29ClF3N3O3/c27-19-6-9-21(25(35)36)23(14-19)31-15-17-2-1-3-22(17)32-24(34)16-10-12-33(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22,31H,1-3,10-13,15H2,(H,32,34)(H,35,36)/t17-,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	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233284 (CHEMBL4071976) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H31F3N2O3/c28-27(29,30)21-10-12-22(13-11-21)32-16-14-20(15-17-32)25(33)31-24-7-3-5-19(24)9-8-18-4-1-2-6-23(18)26(34)35/h1-2,4,6,10-13,19-20,24H,3,5,7-9,14-17H2,(H,31,33)(H,34,35)/t19-,24-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194138 (CHEMBL3928608) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194140 (CHEMBL3947494) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@H]1CCC[C@H](CO)C1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H31F3N2O2/c1-21(2)14-27(18-8-6-16(7-9-18)22(23,24)25)11-10-19(21)20(29)26-17-5-3-4-15(12-17)13-28/h6-9,15,17,19,28H,3-5,10-14H2,1-2H3,(H,26,29)/t15-,17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233285 (CHEMBL4101413) Show SMILES Cc1cccc2ccc(nc12)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1CCc1ccccc1C(O)=O |r| Show InChI InChI=1S/C30H35N3O3/c1-20-6-4-9-23-14-15-27(32-28(20)23)33-18-16-24(17-19-33)29(34)31-26-11-5-8-22(26)13-12-21-7-2-3-10-25(21)30(35)36/h2-4,6-7,9-10,14-15,22,24,26H,5,8,11-13,16-19H2,1H3,(H,31,34)(H,35,36)/t22-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233278 (CHEMBL4064335) Show SMILES OC(=O)c1ccc(F)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H30F4N2O3/c28-21-8-11-23(26(35)36)19(16-21)5-4-17-2-1-3-24(17)32-25(34)18-12-14-33(15-13-18)22-9-6-20(7-10-22)27(29,30)31/h6-11,16-18,24H,1-5,12-15H2,(H,32,34)(H,35,36)/t17-,24-/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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233279 (CHEMBL4092750) Show SMILES OC(=O)c1cccnc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)19-7-9-20(10-8-19)32-15-12-18(13-16-32)24(33)31-22-5-1-3-17(22)6-11-23-21(25(34)35)4-2-14-30-23/h2,4,7-10,14,17-18,22H,1,3,5-6,11-13,15-16H2,(H,31,33)(H,34,35)/t17-,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194138 (CHEMBL3928608) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194192 (CHEMBL3910746) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,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	7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233276 (CHEMBL4078000) Show SMILES OC(=O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H28ClF3N2O4/c27-19-6-9-21(25(34)35)23(14-19)36-15-17-2-1-3-22(17)31-24(33)16-10-12-32(13-11-16)20-7-4-18(5-8-20)26(28,29)30/h4-9,14,16-17,22H,1-3,10-13,15H2,(H,31,33)(H,34,35)/t17-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233281 (CHEMBL4084995) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H31F3N2O4/c28-27(29,30)36-22-12-10-21(11-13-22)32-16-14-20(15-17-32)25(33)31-24-7-3-5-19(24)9-8-18-4-1-2-6-23(18)26(34)35/h1-2,4,6,10-13,19-20,24H,3,5,7-9,14-17H2,(H,31,33)(H,34,35)/t19-,24-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194140 (CHEMBL3947494) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@H]1CCC[C@H](CO)C1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H31F3N2O2/c1-21(2)14-27(18-8-6-16(7-9-18)22(23,24)25)11-10-19(21)20(29)26-17-5-3-4-15(12-17)13-28/h6-9,15,17,19,28H,3-5,10-14H2,1-2H3,(H,26,29)/t15-,17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Canis familiaris)	BDBM50194138 (CHEMBL3928608) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of dog mPGES-1				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194142 (CHEMBL3947843) Show SMILES CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1 |r| Show InChI InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,19-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233274 (CHEMBL4067045) Show SMILES OC(=O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClN3O3/c26-19-9-10-21(25(31)32)23(15-19)27-16-18-5-4-8-22(18)28-24(30)17-11-13-29(14-12-17)20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,22,27H,4-5,8,11-14,16H2,(H,28,30)(H,31,32)/t18-,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	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by IL-1beta addi...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233279 (CHEMBL4092750) Show SMILES OC(=O)c1cccnc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)19-7-9-20(10-8-19)32-15-12-18(13-16-32)24(33)31-22-5-1-3-17(22)6-11-23-21(25(34)35)4-2-14-30-23/h2,4,7-10,14,17-18,22H,1,3,5-6,11-13,15-16H2,(H,31,33)(H,34,35)/t17-,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	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Canis familiaris)	BDBM50194138 (CHEMBL3928608) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCO[C@H](CO)C2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in dog whole blood				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194139 (CHEMBL3952581) Show SMILES Cc1cc(ccc1F)-n1c(nc2cc(C)c(C)cc12)N1CCC(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C27H33FN4O/c1-17-15-24-25(16-18(17)2)32(22-8-9-23(28)19(3)14-22)27(30-24)31-12-10-20(11-13-31)26(33)29-21-6-4-5-7-21/h8-9,14-16,20-21H,4-7,10-13H2,1-3H3,(H,29,33)	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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin)				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194137 (CHEMBL3922684) Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)| Show InChI InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233280 (CHEMBL4063350) Show SMILES OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)20-10-11-23(30-16-20)32-14-12-19(13-15-32)24(33)31-22-7-3-5-18(22)9-8-17-4-1-2-6-21(17)25(34)35/h1-2,4,6,10-11,16,18-19,22H,3,5,7-9,12-15H2,(H,31,33)(H,34,35)/t18-,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	34	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition meas...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194192 (CHEMBL3910746) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,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	36	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50233282 (CHEMBL4086788) Show SMILES CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1cc(Cl)ccc1C(O)=O |r| Show InChI InChI=1S/C18H25ClN2O3/c1-18(2,3)17(24)21-14-6-4-5-11(14)10-20-15-9-12(19)7-8-13(15)16(22)23/h7-9,11,14,20H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)/t11-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS an...				Bioorg Med Chem Lett 27: 1478-1483 (2017) Article DOI: 10.1016/j.bmcl.2016.11.011 BindingDB Entry DOI: 10.7270/Q28P62RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/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	51	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194192 (CHEMBL3910746) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H31N3O2/c1-16-6-4-7-17-9-10-20(25-21(16)17)26-12-11-19(23(2,3)15-26)22(27)24-18-8-5-13-28-14-18/h4,6-7,9-10,18-19H,5,8,11-15H2,1-3H3,(H,24,27)/t18-,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	72	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194142 (CHEMBL3947843) Show SMILES CC(C)[C@@H](C)NC(=O)[C@H]1CCN(CC1(C)C)c1ccc2cccc(C)c2n1 |r| Show InChI InChI=1S/C23H33N3O/c1-15(2)17(4)24-22(27)19-12-13-26(14-23(19,5)6)20-11-10-18-9-7-8-16(3)21(18)25-20/h7-11,15,17,19H,12-14H2,1-6H3,(H,24,27)/t17-,19-/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	77	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair

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