Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'hoffmaster' 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))	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))	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))	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
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)
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 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))	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465930 (CHEMBL4292990) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2cc1O Show InChI InChI=1S/C24H30N4O/c1-23(2)14-18(15-24(3,4)27-23)28(5)22-11-10-20(25-26-22)19-12-16-8-6-7-9-17(16)13-21(19)29/h6-13,18,27,29H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465915 (CHEMBL4281315) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2ccccc2s1 Show InChI InChI=1S/C22H28N4S/c1-21(2)13-16(14-22(3,4)25-21)26(5)20-11-10-17(23-24-20)19-12-15-8-6-7-9-18(15)27-19/h6-12,16,25H,13-14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425323 (CHEMBL2315862) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCC1CCCC1 |r| Show InChI InChI=1S/C24H32ClN3O3/c25-18-8-9-22-20(14-18)27-24(31-22)28-12-10-17(11-13-28)23(29)26-19-6-3-7-21(19)30-15-16-4-1-2-5-16/h8-9,14,16-17,19,21H,1-7,10-13,15H2,(H,26,29)/t19-,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	176	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465921 (CHEMBL4288439) Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1 Show InChI InChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425328 (CHEMBL2315867) Show SMILES CC1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C19H24ClN3O2/c1-12-3-2-4-15(12)21-18(24)13-7-9-23(10-8-13)19-22-16-11-14(20)5-6-17(16)25-19/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	242	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465926 (CHEMBL4294614) Show SMILES Oc1cc(ccc1-c1ccc(nn1)N1CCC2(C1)CCCNC2)-c1cn[nH]c1 Show InChI InChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425327 (CHEMBL2315866) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1c1ccccc1 Show InChI InChI=1S/C24H26ClN3O2/c25-18-9-10-22-21(15-18)27-24(30-22)28-13-11-17(12-14-28)23(29)26-20-8-4-7-19(20)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,17,19-20H,4,7-8,11-14H2,(H,26,29)	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	291	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))	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 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	296	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465919 (CHEMBL4283397) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)C#N Show InChI InChI=1S/C21H27N5O/c1-20(2)11-15(12-21(3,4)25-20)26(5)19-9-8-17(23-24-19)16-7-6-14(13-22)10-18(16)27/h6-10,15,25,27H,11-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465920 (CHEMBL4280558) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-n1cccn1 Show InChI InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-10-9-19(25-26-21)18-8-7-16(13-20(18)30)29-12-6-11-24-29/h6-13,17,27,30H,14-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					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	383	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465916 (CHEMBL4289183) Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1cc2ccccc2s1 Show InChI InChI=1S/C21H26N4S/c1-20(2)12-15(13-21(3,4)25-20)22-19-10-9-16(23-24-19)18-11-14-7-5-6-8-17(14)26-18/h5-11,15,25H,12-13H2,1-4H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 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	618	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))	BDBM50425322 (CHEMBL2315859) Show SMILES OC[C@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C19H24ClN3O3/c20-14-4-5-17-16(10-14)22-19(26-17)23-8-6-12(7-9-23)18(25)21-15-3-1-2-13(15)11-24/h4-5,10,12-13,15,24H,1-3,6-9,11H2,(H,21,25)/t13-,15-/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	785	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))	BDBM50425329 (CHEMBL2315868) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C20H26ClN3O2/c21-15-7-8-18-17(13-15)23-20(26-18)24-11-9-14(10-12-24)19(25)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,25)	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	821	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))	BDBM50425324 (CHEMBL2315864) Show SMILES CCCCO[C@@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-2-3-13-28-19-6-4-5-17(19)24-21(27)15-9-11-26(12-10-15)22-25-18-14-16(23)7-8-20(18)29-22/h7-8,14-15,17,19H,2-6,9-13H2,1H3,(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	826	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))	BDBM50425314 (CHEMBL2315877) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C18H22ClN3O2/c19-13-5-6-16-15(11-13)21-18(24-16)22-9-7-12(8-10-22)17(23)20-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,20,23)	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	853	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))	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	934	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as LPS-induced PGE2 production incubated 15 mins prior to LPS challenge measured after 24 hrs 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))	BDBM50425314 (CHEMBL2315877) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C18H22ClN3O2/c19-13-5-6-16-15(11-13)21-18(24-16)22-9-7-12(8-10-22)17(23)20-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,20,23)	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	1.01E+3	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))	BDBM50425337 (CHEMBL2315876) Show SMILES CSCCNC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C16H20ClN3O2S/c1-23-9-6-18-15(21)11-4-7-20(8-5-11)16-19-13-10-12(17)2-3-14(13)22-16/h2-3,10-11H,4-9H2,1H3,(H,18,21)	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	1.20E+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 G/H synthase 2 (Canis familiaris)	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/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in dog whole blood assessed as LPS-induced PGE2 production				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))	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 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	1.26E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465927 (CHEMBL4285798) Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1ccc(nn1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H28N4/c1-22(2)14-19(15-23(3,4)27-22)24-21-12-11-20(25-26-21)18-10-9-16-7-5-6-8-17(16)13-18/h5-13,19,27H,14-15H2,1-4H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (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	Article PubMed	n/a	n/a	1.60E+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))	BDBM50425330 (CHEMBL2315870) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C19H24ClN3O2/c20-14-6-7-17-16(12-14)22-19(25-17)23-10-8-13(9-11-23)18(24)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465918 (CHEMBL4282391) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(F)cc1O Show InChI InChI=1S/C20H27FN4O/c1-19(2)11-14(12-20(3,4)24-19)25(5)18-9-8-16(22-23-18)15-7-6-13(21)10-17(15)26/h6-10,14,24,26H,11-12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465929 (CHEMBL4286715) Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 |r| Show InChI InChI=1S/C19H20N6O/c26-18-5-12(13-8-21-22-9-13)1-2-16(18)17-3-4-19(24-23-17)25-10-14-6-20-7-15(14)11-25/h1-5,8-9,14-15,20,26H,6-7,10-11H2,(H,21,22)/t14-,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425331 (CHEMBL2315869) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCC1 Show InChI InChI=1S/C17H20ClN3O2/c18-12-4-5-15-14(10-12)20-17(23-15)21-8-6-11(7-9-21)16(22)19-13-2-1-3-13/h4-5,10-11,13H,1-3,6-9H2,(H,19,22)	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	3.01E+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))	BDBM50425321 (CHEMBL2315858) Show SMILES OC[C@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C19H24ClN3O3/c20-14-4-5-17-16(10-14)22-19(26-17)23-8-6-12(7-9-23)18(25)21-15-3-1-2-13(15)11-24/h4-5,10,12-13,15,24H,1-3,6-9,11H2,(H,21,25)/t13-,15+/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	3.20E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465922 (CHEMBL4277023) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1cc2cccnc2cc1O Show InChI InChI=1S/C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-11-15-7-6-10-24-19(15)12-20(17)29/h6-12,16,27,29H,13-14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465925 (CHEMBL4283367) Show SMILES CN(C1CC(C)(C)NC(C)(C)C1)c1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 Show InChI InChI=1S/C23H30N6O/c1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465931 (CHEMBL4290774) Show SMILES Oc1cc(ccc1-c1ccc(OC2CCNCC2)nn1)-n1cccn1 Show InChI InChI=1S/C18H19N5O2/c24-17-12-13(23-11-1-8-20-23)2-3-15(17)16-4-5-18(22-21-16)25-14-6-9-19-10-7-14/h1-5,8,11-12,14,19,24H,6-7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50465914 (Branaplam | LMI-070 | LMI070) Show SMILES CC1(C)CC(CC(C)(C)N1)Oc1ccc(nn1)-c1ccc(cc1O)-c1cn[nH]c1 Show InChI InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting				J Med Chem 61: 11021-11036 (2018) Article DOI: 10.1021/acs.jmedchem.8b01291 BindingDB Entry DOI: 10.7270/Q2474DJX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425326 (CHEMBL2315865) Show SMILES OC(=O)C1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C19H22ClN3O4/c20-12-4-5-16-15(10-12)22-19(27-16)23-8-6-11(7-9-23)17(24)21-14-3-1-2-13(14)18(25)26/h4-5,10-11,13-14H,1-3,6-9H2,(H,21,24)(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	7.18E+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 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	7.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 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))	BDBM50425325 (CHEMBL2315863) Show SMILES CO[C@@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C19H24ClN3O3/c1-25-16-4-2-3-14(16)21-18(24)12-7-9-23(10-8-12)19-22-15-11-13(20)5-6-17(15)26-19/h5-6,11-12,14,16H,2-4,7-10H2,1H3,(H,21,24)/t14-,16-/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	8.15E+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
Hematopoietic prostaglandin D 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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PGDS				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))	BDBM50425319 (CHEMBL2315860) Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wU:5.8,wD:2.1,(41.91,-13.61,;41.14,-12.28,;39.6,-12.28,;38.83,-10.94,;37.29,-10.94,;36.53,-12.27,;37.29,-13.61,;38.83,-13.61,;34.99,-12.28,;34.22,-10.94,;34.99,-9.61,;32.68,-10.95,;31.91,-12.28,;30.38,-12.29,;29.61,-10.96,;30.36,-9.62,;31.91,-9.62,;28.07,-10.97,;27.17,-12.22,;25.7,-11.75,;24.36,-12.53,;23.02,-11.76,;21.69,-12.53,;23.03,-10.22,;24.35,-9.45,;25.69,-10.21,;27.15,-9.72,)| 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 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	>1.00E+4	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))	BDBM50425334 (CHEMBL2315874) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)S(=O)(=O)NC1CCCC1 Show InChI InChI=1S/C17H22ClN3O3S/c18-12-5-6-16-15(11-12)19-17(24-16)21-9-7-14(8-10-21)25(22,23)20-13-3-1-2-4-13/h5-6,11,13-14,20H,1-4,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50425335 (CHEMBL2315873) Show SMILES Clc1ccc2oc(nc2c1)N1CCN(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C17H21ClN4O2/c18-12-5-6-15-14(11-12)20-17(24-15)22-9-7-21(8-10-22)16(23)19-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,23)	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	>1.00E+4	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

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