Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50308131'   

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))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	6.0	25
Merck Frosst Canada Ltd. US Patent					Assay Description Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...				US Patent US8969394 (2015) BindingDB Entry DOI: 10.7270/Q24X56H8
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Rattus norvegicus)	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from rat EP4 receptor expressed in HEK293-EBNA cells by scintillation counting				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting in presence of 10% human serum				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00448 BindingDB Entry DOI: 10.7270/Q2GM8CD4
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Activity at EP4 receptor in human whole blood assessed as blockade of inhibition of TNFalpha-induced IP10 release				J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT
					More data for this Ligand-Target Pair