Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50117691'   

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 EP3 subtype (Homo sapiens (Human))	BDBM50117691 (CHEMBL86886 | Thiophene-2-sulfonic acid [2-(4'-phe...) Show SMILES O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C27H25NO3S3/c29-26(28-34(30,31)27-11-6-17-33-27)19-24-9-4-5-10-25(24)23-14-12-22(13-15-23)20-32-18-16-21-7-2-1-3-8-21/h1-15,17H,16,18-20H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	330	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 EP3 receptor.				Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S
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