Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'moore' and Initial = 'wm'   

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
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50055281 (2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...) Show SMILES CCSC(N)=N Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Medical School Curated by ChEMBL					Assay Description Binding affinity against mouse Inducible nitric oxide synthase (iNOS)				J Med Chem 39: 5110-8 (1997) Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435048 (CHEMBL2391142) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50168761 (3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...) Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435045 (CHEMBL2391141) Show SMILES CCOc1ccc(cc1)-c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C28H34ClN3O4/c1-2-35-22-8-6-19(7-9-22)23-15-26-25(16-24(23)29)31-28(36-26)32-12-10-20(11-13-32)27(34)30-21-5-3-4-18(14-21)17-33/h6-9,15-16,18,20-21,33H,2-5,10-14,17H2,1H3,(H,30,34)/t18-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435046 (CHEMBL2391140) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-5-2-4-18(12-19)21-13-24-23(14-22(21)28)30-26(34-24)31-9-7-17(8-10-31)25(33)29-20-6-1-3-16(11-20)15-32/h2,4-5,12-14,16-17,20,32H,1,3,6-11,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435047 (CHEMBL2391299) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H29ClFN3O3/c27-22-14-23-24(13-21(22)17-4-6-19(28)7-5-17)34-26(30-23)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human fetal fibroblast cells assessed as PGF2alpha level after 50 mins by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435044 (CHEMBL2391295) Show SMILES CC(C)c1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14(2)18-11-21-20(12-19(18)24)26-23(30-21)27-8-6-16(7-9-27)22(29)25-17-5-3-4-15(10-17)13-28/h11-12,14-17,28H,3-10,13H2,1-2H3,(H,25,29)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425313 (CHEMBL2315853) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426956 (CHEMBL2325076) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O3/c1-22(2,32)14-4-3-5-15(10-14)28-20(31)13-6-8-30(9-7-13)21-29-18-12-17(24)16(23(25,26)27)11-19(18)33-21/h11-15,32H,3-10H2,1-2H3,(H,28,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426958 (CHEMBL2325074) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14-11-20-19(13-18(14)24)26-22(30-20)27-9-7-15(8-10-27)21(28)25-17-6-4-5-16(12-17)23(2,3)29/h11,13,15-17,29H,4-10,12H2,1-3H3,(H,25,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435043 (CHEMBL2391296) Show SMILES CC(C)Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C24H34ClN3O3/c1-15(2)10-18-12-22-21(13-20(18)25)27-24(31-22)28-8-6-17(7-9-28)23(30)26-19-5-3-4-16(11-19)14-29/h12-13,15-17,19,29H,3-11,14H2,1-2H3,(H,26,30)/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435042 (CHEMBL2391297) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(Cl)cc2o1 |r| Show InChI InChI=1S/C20H25Cl2N3O3/c21-15-9-17-18(10-16(15)22)28-20(24-17)25-6-4-13(5-7-25)19(27)23-14-3-1-2-12(8-14)11-26/h9-10,12-14,26H,1-8,11H2,(H,23,27)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426955 (CHEMBL2325077) Show SMILES CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF4N3O2/c1-22(2,25)14-4-3-5-15(10-14)29-20(32)13-6-8-31(9-7-13)21-30-18-12-17(24)16(23(26,27)28)11-19(18)33-21/h11-15H,3-10H2,1-2H3,(H,29,32)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425313 (CHEMBL2315853) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426954 (CHEMBL2325078) Show SMILES CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O4S/c1-33(30,31)14-4-2-3-13(9-14)26-19(29)12-5-7-28(8-6-12)20-27-17-11-16(22)15(21(23,24)25)10-18(17)32-20/h10-14H,2-9H2,1H3,(H,26,29)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435041 (CHEMBL2391294) Show SMILES CCc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-2-15-11-20-19(12-18(15)23)25-22(29-20)26-8-6-16(7-9-26)21(28)24-17-5-3-4-14(10-17)13-27/h11-12,14,16-17,27H,2-10,13H2,1H3,(H,24,28)/t14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426963 (CHEMBL2325084) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C21H28ClN3O3/c1-13-9-19-18(11-17(13)22)24-21(28-19)25-7-5-15(6-8-25)20(27)23-16-4-2-3-14(10-16)12-26/h9,11,14-16,26H,2-8,10,12H2,1H3,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of FLAP (unknown origin)				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Angiotensin I converting enzyme				Bioorg Med Chem Lett 3: 1953-1958 (1993) Article DOI: 10.1016/S0960-894X(01)80994-X BindingDB Entry DOI: 10.7270/Q2057GD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426957 (CHEMBL2325075) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425317 (CHEMBL2315856) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,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	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426960 (CHEMBL2325072) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CC1)C(C)(C)O |r,wU:20.22,23.29,(3.97,-46.23,;5.31,-45.46,;6.64,-46.23,;7.97,-45.46,;9.45,-45.94,;10.36,-44.69,;9.45,-43.43,;7.97,-43.91,;6.64,-43.15,;5.31,-43.92,;3.98,-43.15,;11.9,-44.69,;12.66,-46.03,;14.19,-46.03,;14.97,-44.7,;14.2,-43.37,;12.66,-43.36,;16.51,-44.71,;17.28,-43.38,;17.27,-46.04,;18.81,-46.05,;19.58,-44.73,;21.13,-44.74,;21.89,-46.08,;21.11,-47.41,;19.57,-47.4,;23.43,-46.09,;24.21,-44.77,;24.97,-46.09,;24.19,-47.43,)| Show InChI InChI=1S/C23H32ClN3O3/c1-14-12-20-19(13-18(14)24)26-22(30-20)27-10-8-15(9-11-27)21(28)25-17-6-4-16(5-7-17)23(2,3)29/h12-13,15-17,29H,4-11H2,1-3H3,(H,25,28)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50425313 (CHEMBL2315853) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425318 (CHEMBL2315861) Show SMILES OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)| Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426964 (CHEMBL2325083) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@H](CO)CC1 |r,wU:20.22,23.26,(25.8,-26.07,;27.13,-25.3,;28.47,-26.07,;29.8,-25.3,;31.27,-25.78,;32.19,-24.53,;31.27,-23.27,;29.8,-23.75,;28.46,-22.99,;27.13,-23.76,;25.8,-22.99,;33.72,-24.53,;34.48,-25.87,;36.01,-25.87,;36.79,-24.54,;36.02,-23.21,;34.48,-23.2,;38.33,-24.55,;39.1,-23.22,;39.09,-25.88,;40.63,-25.89,;41.4,-27.24,;42.93,-27.25,;43.71,-25.92,;45.25,-25.93,;46.01,-27.27,;42.95,-24.58,;41.41,-24.57,)| Show InChI InChI=1S/C21H28ClN3O3/c1-13-10-19-18(11-17(13)22)24-21(28-19)25-8-6-15(7-9-25)20(27)23-16-4-2-14(12-26)3-5-16/h10-11,14-16,26H,2-9,12H2,1H3,(H,23,27)/t14-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425315 (CHEMBL2315854) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425320 (CHEMBL2315857) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,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	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435054 (CHEMBL2391289) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Br)ccc2o1 |r| Show InChI InChI=1S/C20H26BrN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435056 (CHEMBL2391298) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)F |r| Show InChI InChI=1S/C21H26ClF2N3O3/c22-16-10-17-18(9-15(16)19(23)24)30-21(26-17)27-6-4-13(5-7-27)20(29)25-14-3-1-2-12(8-14)11-28/h9-10,12-14,19,28H,1-8,11H2,(H,25,29)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435048 (CHEMBL2391142) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H29ClF3N3O4/c28-22-14-23-24(13-21(22)17-4-6-20(7-5-17)38-27(29,30)31)37-26(33-23)34-10-8-18(9-11-34)25(36)32-19-3-1-2-16(12-19)15-35/h4-7,13-14,16,18-19,35H,1-3,8-12,15H2,(H,32,36)/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50062142 (4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...) Show SMILES CC1CC(C)N=C(N)C1 |t:5| Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neuronal nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50035235 (CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...) Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against thermolysin				Bioorg Med Chem Lett 3: 1953-1958 (1993) Article DOI: 10.1016/S0960-894X(01)80994-X BindingDB Entry DOI: 10.7270/Q2057GD5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426966 (CHEMBL2325080) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C20H26ClN3O3/c21-15-4-5-18-17(11-15)23-20(27-18)24-8-6-14(7-9-24)19(26)22-16-3-1-2-13(10-16)12-25/h4-5,11,13-14,16,25H,1-3,6-10,12H2,(H,22,26)/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426965 (CHEMBL2325082) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-22(2,28)15-4-3-5-17(12-15)24-20(27)14-8-10-26(11-9-14)21-25-18-13-16(23)6-7-19(18)29-21/h6-7,13-15,17,28H,3-5,8-12H2,1-2H3,(H,24,27)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426956 (CHEMBL2325076) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O3/c1-22(2,32)14-4-3-5-15(10-14)28-20(31)13-6-8-30(9-7-13)21-29-18-12-17(24)16(23(25,26)27)11-19(18)33-21/h11-15,32H,3-10H2,1-2H3,(H,28,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062142 (4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...) Show SMILES CC1CC(C)N=C(N)C1 |t:5| Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425316 (CHEMBL2315855) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50425317 (CHEMBL2315856) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426958 (CHEMBL2325074) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C23H32ClN3O3/c1-14-11-20-19(13-18(14)24)26-22(30-20)27-9-7-15(8-10-27)21(28)25-17-6-4-5-16(12-17)23(2,3)29/h11,13,15-17,29H,4-10,12H2,1-3H3,(H,25,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50435055 (CHEMBL2391293) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(ccc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)15-4-5-18-17(11-15)26-20(30-18)27-8-6-14(7-9-27)19(29)25-16-3-1-2-13(10-16)12-28/h4-5,11,13-14,16,28H,1-3,6-10,12H2,(H,25,29)/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50062133 (4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...) Show SMILES CC1CCN=C(N)C1 |t:4| Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibition of human Inducible nitric oxide synthase				J Med Chem 41: 96-101 (1998) Article DOI: 10.1021/jm9705059 BindingDB Entry DOI: 10.7270/Q2GM86D2
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426967 (CHEMBL2325079 | PF-4693627) Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O3/c27-19-6-4-17(5-7-19)21-13-24-23(14-22(21)28)30-26(34-24)31-10-8-18(9-11-31)25(33)29-20-3-1-2-16(12-20)15-32/h4-7,13-14,16,18,20,32H,1-3,8-12,15H2,(H,29,33)/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA				Bioorg Med Chem Lett 23: 1114-9 (2013) Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426965 (CHEMBL2325082) Show SMILES CC(C)(O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-22(2,28)15-4-3-5-17(12-15)24-20(27)14-8-10-26(11-9-14)21-25-18-13-16(23)6-7-19(18)29-21/h6-7,13-15,17,28H,3-5,8-12H2,1-2H3,(H,24,27)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair

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