Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50085919'   

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))	BDBM50085919 (7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiophen-2-ylsulf...) Show SMILES OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1 Show InChI InChI=1S/C20H32O5S2/c21-14(13-27-20-8-5-11-26-20)9-10-16-15(17(22)12-18(16)23)6-3-1-2-4-7-19(24)25/h5,8,11,14-18,21-23H,1-4,6-7,9-10,12-13H2,(H,24,25)/t14?,15-,16-,17+,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Affinity for Prostanoid EP3 receptor expressed in CHO cell line				J Med Chem 43: 945-52 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GCN
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