Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50030837   

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))	BDBM50302429 (2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1...) Show SMILES CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C32H30N4O2/c1-19(2)12-13-38-23-9-11-25-27(15-23)26-14-20(16-32(3,4)37)8-10-24(26)29-30(25)36-31(35-29)28-21(17-33)6-5-7-22(28)18-34/h5-11,14-15,19,37H,12-13,16H2,1-4H3,(H,35,36)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50270592 (2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpr...) Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C32H28N4O2/c1-32(2,37)16-20-8-10-24-26(14-20)27-15-23(38-13-12-19-6-7-19)9-11-25(27)30-29(24)35-31(36-30)28-21(17-33)4-3-5-22(28)18-34/h3-5,8-11,14-15,19,37H,6-7,12-13,16H2,1-2H3,(H,35,36)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302407 (2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...) Show SMILES OC(c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H11BrClF7N2O/c25-11-5-7-13-15(9-11)14-8-10(22(36,23(28,29)30)24(31,32)33)4-6-12(14)19-20(13)35-21(34-19)18-16(26)2-1-3-17(18)27/h1-9,36H,(H,34,35)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302418 (2-(6-chloro-9-(pyridin-3-ylethynyl)-1H-phenanthro[...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#Cc1cccnc1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H14ClN5/c31-22-9-11-24-26(14-22)25-13-18(6-7-19-3-2-12-34-17-19)8-10-23(25)28-29(24)36-30(35-28)27-20(15-32)4-1-5-21(27)16-33/h1-5,8-14,17H,(H,35,36)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302421 (2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpr...) Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cc(F)cc1C#N)C#N Show InChI InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50227631 (2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...) Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302414 (2-(6-chloro-9-(3-cyanopropoxy)-1H-phenanthro[9,10-...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(OCCCC#N)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H16ClN5O/c28-18-6-8-20-22(12-18)23-13-19(34-11-2-1-10-29)7-9-21(23)26-25(20)32-27(33-26)24-16(14-30)4-3-5-17(24)15-31/h3-9,12-13H,1-2,11H2,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302415 (2-(9-(2-(1H-pyrrol-1-yl)ethoxy)-6-chloro-1H-phenan...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(OCCn4cccc4)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C29H18ClN5O/c30-20-6-8-22-24(14-20)25-15-21(36-13-12-35-10-1-2-11-35)7-9-23(25)28-27(22)33-29(34-28)26-18(16-31)4-3-5-19(26)17-32/h1-11,14-15H,12-13H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302419 (2-(6-chloro-9-(pyridin-4-ylethynyl)-1H-phenanthro[...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#Cc1ccncc1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H14ClN5/c31-22-7-9-24-26(15-22)25-14-19(5-4-18-10-12-34-13-11-18)6-8-23(25)28-29(24)36-30(35-28)27-20(16-32)2-1-3-21(27)17-33/h1-3,6-15H,(H,35,36)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) Show SMILES CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C28H17ClN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,1-2H3,(H,32,33)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302420 (2-(6-chloro-9-((1-hydroxycyclopentyl)ethynyl)-1H-p...) Show SMILES OC1(CCCC1)C#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H19ClN4O/c31-21-7-9-23-25(15-21)24-14-18(10-13-30(36)11-1-2-12-30)6-8-22(24)27-28(23)35-29(34-27)26-19(16-32)4-3-5-20(26)17-33/h3-9,14-15,36H,1-2,11-12H2,(H,34,35)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302424 (2-(6-ethyl-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phe...) Show SMILES CCc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#CC(C)(C)O)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H22N4O/c1-4-18-8-10-22-24(14-18)25-15-19(12-13-30(2,3)35)9-11-23(25)28-27(22)33-29(34-28)26-20(16-31)6-5-7-21(26)17-32/h5-11,14-15,35H,4H2,1-3H3,(H,33,34)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302425 (2-(6-(cyclopropylethynyl)-9-(3-hydroxy-3-methylbut...) Show SMILES CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(cc3c2c1)C#CC1CC1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C33H22N4O/c1-33(2,38)15-14-22-11-13-26-28(17-22)27-16-21(9-8-20-6-7-20)10-12-25(27)30-31(26)37-32(36-30)29-23(18-34)4-3-5-24(29)19-35/h3-5,10-13,16-17,20,38H,6-7H2,1-2H3,(H,36,37)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50270591 (2-(6-chloro-9-(3-hydroxy-3-methylbutyl)-1H-phenant...) Show SMILES CC(C)(O)CCc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C28H21ClN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,10-11H2,1-2H3,(H,32,33)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302428 (2-(9-(2-hydroxy-2-methylpropyl)-6-(4,4,4-trifluoro...) Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCCC(F)(F)F)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C31H25F3N4O2/c1-30(2,39)15-18-7-9-22-24(13-18)25-14-21(40-12-4-11-31(32,33)34)8-10-23(25)28-27(22)37-29(38-28)26-19(16-35)5-3-6-20(26)17-36/h3,5-10,13-14,39H,4,11-12,15H2,1-2H3,(H,37,38)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302417 (2-(6-chloro-9-(3-methoxyprop-1-ynyl)-1H-phenanthro...) Show SMILES COCC#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H15ClN4O/c1-33-11-3-4-16-7-9-20-22(12-16)23-13-19(28)8-10-21(23)26-25(20)31-27(32-26)24-17(14-29)5-2-6-18(24)15-30/h2,5-10,12-13H,11H2,1H3,(H,31,32)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302426 (2-(6-chloro-9-(2-hydroxy-2-methylpropyl)-1H-phenan...) Show SMILES CC(C)(O)Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H19ClN4O/c1-27(2,33)12-15-6-8-19-21(10-15)22-11-18(28)7-9-20(22)25-24(19)31-26(32-25)23-16(13-29)4-3-5-17(23)14-30/h3-11,33H,12H2,1-2H3,(H,31,32)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302416 (2-(6-chloro-9-(4-(methylsulfonyl)phenyl)-1H-phenan...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H17ClN4O2S/c1-38(36,37)22-9-5-17(6-10-22)18-7-11-23-25(13-18)26-14-21(31)8-12-24(26)29-28(23)34-30(35-29)27-19(15-32)3-2-4-20(27)16-33/h2-14H,1H3,(H,34,35)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302399 (6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1ccc(Br)cc1c1ccccc21 Show InChI InChI=1S/C21H11BrClFN2/c22-11-8-9-14-15(10-11)12-4-1-2-5-13(12)19-20(14)26-21(25-19)18-16(23)6-3-7-17(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302403 (6,9-dibromo-2-(2-chloro-6-fluorophenyl)-1H-phenant...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1ccc(Br)cc1c1cc(Br)ccc21 Show InChI InChI=1S/C21H10Br2ClFN2/c22-10-4-6-12-14(8-10)15-9-11(23)5-7-13(15)20-19(12)26-21(27-20)18-16(24)2-1-3-17(18)25/h1-9H,(H,26,27)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302427 (2-(6-(cyclopropylmethoxy)-9-(2-hydroxy-2-methylpro...) Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCC4CC4)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C31H26N4O2/c1-31(2,36)14-19-8-10-23-25(12-19)26-13-22(37-17-18-6-7-18)9-11-24(26)29-28(23)34-30(35-29)27-20(15-32)4-3-5-21(27)16-33/h3-5,8-13,18,36H,6-7,14,17H2,1-2H3,(H,34,35)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302430 (2-(9-(2-hydroxy-2-methylpropyl)-6-isobutoxy-1H-phe...) Show SMILES CC(C)COc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C31H28N4O2/c1-18(2)17-37-22-9-11-24-26(13-22)25-12-19(14-31(3,4)36)8-10-23(25)28-29(24)35-30(34-28)27-20(15-32)6-5-7-21(27)16-33/h5-13,18,36H,14,17H2,1-4H3,(H,34,35)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302404 (6-bromo-2-(2-chloro-6-fluorophenyl)-9-isopropyl-1H...) Show SMILES CC(C)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C24H17BrClFN2/c1-12(2)13-6-8-15-17(10-13)18-11-14(25)7-9-16(18)23-22(15)28-24(29-23)21-19(26)4-3-5-20(21)27/h3-12H,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302412 (2-(6-chloro-9-(2-hydroxypropan-2-yl)-1H-phenanthro...) Show SMILES CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C26H17ClN4O/c1-26(2,32)16-6-8-18-20(10-16)21-11-17(27)7-9-19(21)24-23(18)30-25(31-24)22-14(12-28)4-3-5-15(22)13-29/h3-11,32H,1-2H3,(H,30,31)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302422 (6-chloro-2-(2-chloro-6-fluorophenyl)-1H-phenanthro...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1ccc(Cl)cc1c1ccccc21 Show InChI InChI=1S/C21H11Cl2FN2/c22-11-8-9-14-15(10-11)12-4-1-2-5-13(12)19-20(14)26-21(25-19)18-16(23)6-3-7-17(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302405 (6-bromo-2-(2-chloro-6-fluorophenyl)-9-methoxy-1H-p...) Show SMILES COc1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C22H13BrClFN2O/c1-28-12-6-8-14-16(10-12)15-9-11(23)5-7-13(15)20-21(14)27-22(26-20)19-17(24)3-2-4-18(19)25/h2-10H,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302409 (2-(2-chloro-6-fluorophenyl)-6,9-dimethyl-1H-phenan...) Show SMILES Cc1ccc2c3nc([nH]c3c3ccc(C)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H16ClFN2/c1-12-6-8-14-16(10-12)17-11-13(2)7-9-15(17)22-21(14)26-23(27-22)20-18(24)4-3-5-19(20)25/h3-11H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302408 (2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...) Show SMILES CC(C)(O)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C24H17BrClFN2O/c1-24(2,30)12-6-8-14-16(10-12)17-11-13(25)7-9-15(17)22-21(14)28-23(29-22)20-18(26)4-3-5-19(20)27/h3-11,30H,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302402 (7-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1cccc(Br)c1c1ccccc21 Show InChI InChI=1S/C21H11BrClFN2/c22-14-8-3-7-13-17(14)11-5-1-2-6-12(11)19-20(13)26-21(25-19)18-15(23)9-4-10-16(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302406 (1-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...) Show SMILES CC(=O)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H13BrClFN2O/c1-11(29)12-5-7-14-16(9-12)17-10-13(24)6-8-15(17)22-21(14)27-23(28-22)20-18(25)3-2-4-19(20)26/h2-10H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302413 (2-(6-chloro-9-(methylsulfonyl)-1H-phenanthro[9,10-...) Show SMILES CS(=O)(=O)c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C24H13ClN4O2S/c1-32(30,31)16-6-8-18-20(10-16)19-9-15(25)5-7-17(19)22-23(18)29-24(28-22)21-13(11-26)3-2-4-14(21)12-27/h2-10H,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302423 (5-chloro-2-(2-chloro-6-fluorophenyl)-1H-phenanthro...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1cc(Cl)ccc1c1ccccc21 Show InChI InChI=1S/C21H11Cl2FN2/c22-11-8-9-13-12-4-1-2-5-14(12)19-20(15(13)10-11)26-21(25-19)18-16(23)6-3-7-17(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) Show SMILES CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C28H17ClN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,1-2H3,(H,32,33)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302415 (2-(9-(2-(1H-pyrrol-1-yl)ethoxy)-6-chloro-1H-phenan...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(OCCn4cccc4)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C29H18ClN5O/c30-20-6-8-22-24(14-20)25-15-21(36-13-12-35-10-1-2-11-35)7-9-23(25)28-27(22)33-29(34-28)26-18(16-31)4-3-5-19(26)17-32/h1-11,14-15H,12-13H2,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302401 (5-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1cc(Br)ccc1c1ccccc21 Show InChI InChI=1S/C21H11BrClFN2/c22-11-8-9-13-12-4-1-2-5-14(12)19-20(15(13)10-11)26-21(25-19)18-16(23)6-3-7-17(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302420 (2-(6-chloro-9-((1-hydroxycyclopentyl)ethynyl)-1H-p...) Show SMILES OC1(CCCC1)C#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H19ClN4O/c31-21-7-9-23-25(15-21)24-14-18(10-13-30(36)11-1-2-12-30)6-8-22(24)27-28(23)35-29(34-27)26-19(16-32)4-3-5-20(26)17-33/h3-9,14-15,36H,1-2,11-12H2,(H,34,35)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302412 (2-(6-chloro-9-(2-hydroxypropan-2-yl)-1H-phenanthro...) Show SMILES CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C26H17ClN4O/c1-26(2,32)16-6-8-18-20(10-16)21-11-17(27)7-9-19(21)24-23(18)30-25(31-24)22-14(12-28)4-3-5-15(22)13-29/h3-11,32H,1-2H3,(H,30,31)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50227605 (2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]i...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1ccccc1c1ccccc21 Show InChI InChI=1S/C21H12ClFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1-11H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302414 (2-(6-chloro-9-(3-cyanopropoxy)-1H-phenanthro[9,10-...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(OCCCC#N)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H16ClN5O/c28-18-6-8-20-22(12-18)23-13-19(34-11-2-1-10-29)7-9-21(23)26-25(20)32-27(33-26)24-16(14-30)4-3-5-17(24)15-31/h3-9,12-13H,1-2,11H2,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302416 (2-(6-chloro-9-(4-(methylsulfonyl)phenyl)-1H-phenan...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H17ClN4O2S/c1-38(36,37)22-9-5-17(6-10-22)18-7-11-23-25(13-18)26-14-21(31)8-12-24(26)29-28(23)34-30(35-29)27-19(15-32)3-2-4-20(27)16-33/h2-14H,1H3,(H,34,35)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302411 (2-(2-(2-chloro-6-fluorophenyl)-6-(2-hydroxypropan-...) Show SMILES CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C(O)(C(F)(F)F)C(F)(F)F)-c1c(F)cccc1Cl Show InChI InChI=1S/C27H18ClF7N2O2/c1-24(2,38)12-6-8-14-16(10-12)17-11-13(25(39,26(30,31)32)27(33,34)35)7-9-15(17)22-21(14)36-23(37-22)20-18(28)4-3-5-19(20)29/h3-11,38-39H,1-2H3,(H,36,37)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302418 (2-(6-chloro-9-(pyridin-3-ylethynyl)-1H-phenanthro[...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#Cc1cccnc1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H14ClN5/c31-22-9-11-24-26(14-22)25-13-18(6-7-19-3-2-12-34-17-19)8-10-23(25)28-29(24)36-30(35-28)27-20(15-32)4-1-5-21(27)16-33/h1-5,8-14,17H,(H,35,36)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302417 (2-(6-chloro-9-(3-methoxyprop-1-ynyl)-1H-phenanthro...) Show SMILES COCC#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H15ClN4O/c1-33-11-3-4-16-7-9-20-22(12-16)23-13-19(28)8-10-21(23)26-25(20)31-27(32-26)24-17(14-29)5-2-6-18(24)15-30/h2,5-10,12-13H,11H2,1H3,(H,31,32)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302419 (2-(6-chloro-9-(pyridin-4-ylethynyl)-1H-phenanthro[...) Show SMILES Clc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#Cc1ccncc1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C30H14ClN5/c31-22-7-9-24-26(15-22)25-14-19(5-4-18-10-12-34-13-11-18)6-8-23(25)28-29(24)36-30(35-28)27-20(16-32)2-1-3-21(27)17-33/h1-3,6-15H,(H,35,36)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302400 (4-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[...) Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c1c(Br)cccc1c1ccccc21 Show InChI InChI=1S/C21H11BrClFN2/c22-14-8-3-7-12-11-5-1-2-6-13(11)19-20(17(12)14)26-21(25-19)18-15(23)9-4-10-16(18)24/h1-10H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302413 (2-(6-chloro-9-(methylsulfonyl)-1H-phenanthro[9,10-...) Show SMILES CS(=O)(=O)c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C24H13ClN4O2S/c1-32(30,31)16-6-8-18-20(10-16)19-9-15(25)5-7-17(19)22-23(18)29-24(28-22)21-13(11-26)3-2-4-14(21)12-27/h2-10H,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302410 (1,1'-(2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,...) Show SMILES CC(=O)c1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C(C)=O)-c1c(F)cccc1Cl Show InChI InChI=1S/C25H16ClFN2O2/c1-12(30)14-6-8-16-18(10-14)19-11-15(13(2)31)7-9-17(19)24-23(16)28-25(29-24)22-20(26)4-3-5-21(22)27/h3-11H,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302408 (2-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...) Show SMILES CC(C)(O)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C24H17BrClFN2O/c1-24(2,30)12-6-8-14-16(10-12)17-11-13(25)7-9-15(17)22-21(14)28-23(29-22)20-18(26)4-3-5-19(20)27/h3-11,30H,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302406 (1-(6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanth...) Show SMILES CC(=O)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H13BrClFN2O/c1-11(29)12-5-7-14-16(9-12)17-10-13(24)6-8-15(17)22-21(14)27-23(28-22)20-18(25)3-2-4-19(20)26/h2-10H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50227631 (2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...) Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair				3D Structure (crystal)

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