Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50333728'   

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))	BDBM50333728 (3-(4-((N-(1-(2,6-dichlorophenyl)cyclopropanecarbon...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CS(=O)(=O)NC(=O)C2(CC2)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C30H28Cl2N2O4S2/c1-17-14-18(2)26-21(15-17)24(27(39-26)28(35)34(3)4)20-10-8-19(9-11-20)16-40(37,38)33-29(36)30(12-13-30)25-22(31)6-5-7-23(25)32/h5-11,14-15H,12-13,16H2,1-4H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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 Binding affinity to EP4 receptor				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333728 (3-(4-((N-(1-(2,6-dichlorophenyl)cyclopropanecarbon...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CS(=O)(=O)NC(=O)C2(CC2)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C30H28Cl2N2O4S2/c1-17-14-18(2)26-21(15-17)24(27(39-26)28(35)34(3)4)20-10-8-19(9-11-20)16-40(37,38)33-29(36)30(12-13-30)25-22(31)6-5-7-23(25)32/h5-11,14-15H,12-13,16H2,1-4H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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 Binding affinity to EP4 receptor in presence of 10% HSA				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333728 (3-(4-((N-(1-(2,6-dichlorophenyl)cyclopropanecarbon...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CS(=O)(=O)NC(=O)C2(CC2)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C30H28Cl2N2O4S2/c1-17-14-18(2)26-21(15-17)24(27(39-26)28(35)34(3)4)20-10-8-19(9-11-20)16-40(37,38)33-29(36)30(12-13-30)25-22(31)6-5-7-23(25)32/h5-11,14-15H,12-13,16H2,1-4H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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 Ratio of Ki for EP4 receptor to EP4 receptor in presence of 10% HSA				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair