Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50039916'   

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))	BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cccs1 Show InChI InChI=1S/C31H27F3N4O4S2/c1-2-3-14-28-35-38(25-11-6-5-10-24(25)31(32,33)34)30(40)37(28)20-21-15-17-22(18-16-21)23-9-4-7-13-27(23)44(41,42)36-29(39)26-12-8-19-43-26/h4-13,15-19H,2-3,14,20H2,1H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	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 at human Prostanoid EP4 receptor.				Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S
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