Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50046975   

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 E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140261 (CHEMBL3753860) Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1 Show InChI InChI=1S/C24H23NO4/c1-14-7-8-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)9-20(24(28)29)10-16(22)3/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140253 (CHEMBL3752948) Show SMILES Cc1cc(cc(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1)C(O)=O Show InChI InChI=1S/C23H19F3N2O4/c1-12-8-16(22(31)32)9-13(2)19(12)28-21(30)20-17(23(24,25)26)6-7-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140264 (CHEMBL3753835) Show SMILES Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)-c1cccc(CO)c1 Show InChI InChI=1S/C23H22N2O4/c1-13-7-8-19(17-6-4-5-16(11-17)12-26)24-21(13)22(27)25-20-14(2)9-18(23(28)29)10-15(20)3/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140262 (CHEMBL3753567) Show SMILES Cc1cc(cc(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1)C(O)=O Show InChI InChI=1S/C23H20FNO4/c1-13-8-18(23(28)29)9-14(2)21(13)25-22(27)19-11-17(6-7-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140254 (CHEMBL3753372) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H19ClN2O3/c1-12-7-9-17(22(27)28)14(3)19(12)25-21(26)20-13(2)8-10-18(24-20)15-5-4-6-16(23)11-15/h4-11H,1-3H3,(H,25,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140263 (CHEMBL3753286) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C(F)(F)F)-c1cccc(CO)c1 Show InChI InChI=1S/C23H19F3N2O4/c1-12-6-7-16(22(31)32)13(2)19(12)28-21(30)20-17(23(24,25)26)8-9-18(27-20)15-5-3-4-14(10-15)11-29/h3-10,29H,11H2,1-2H3,(H,28,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140259 (CHEMBL3753274) Show SMILES Cc1ccc(cc1C(=O)Nc1c(C)ccc(C(O)=O)c1C)-c1cccc(CO)c1 Show InChI InChI=1S/C24H23NO4/c1-14-7-9-19(18-6-4-5-17(11-18)13-26)12-21(14)23(27)25-22-15(2)8-10-20(16(22)3)24(28)29/h4-12,26H,13H2,1-3H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140255 (CHEMBL3754085) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1 Show InChI InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140256 (CHEMBL3740223) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(CO)c1 Show InChI InChI=1S/C27H23NO4/c1-16-10-11-22(27(31)32)17(2)25(16)28-26(30)24-14-21(13-20-7-3-4-9-23(20)24)19-8-5-6-18(12-19)15-29/h3-14,29H,15H2,1-2H3,(H,28,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50335990 (2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C Show InChI InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140258 (CHEMBL3740325) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50140260 (CHEMBL3753133) Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(ccc1F)-c1cccc(CO)c1 Show InChI InChI=1S/C23H20FNO4/c1-13-6-8-18(23(28)29)14(2)21(13)25-22(27)19-11-17(7-9-20(19)24)16-5-3-4-15(10-16)12-26/h3-11,26H,12H2,1-2H3,(H,25,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...				Bioorg Med Chem Lett 26: 931-5 (2016) Article DOI: 10.1016/j.bmcl.2015.12.057 BindingDB Entry DOI: 10.7270/Q22F7Q93
					More data for this Ligand-Target Pair