Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP1 subtype' and Ligand = 'BDBM50085918'   

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 EP1 subtype (Homo sapiens (Human))	BDBM50085918 (7-[3,5-Dihydroxy-2-(3-hydroxy-4-m-tolylsulfanyl-bu...) Show SMILES Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1 Show InChI InChI=1S/C23H36O5S/c1-16-7-6-8-18(13-16)29-15-17(24)11-12-20-19(21(25)14-22(20)26)9-4-2-3-5-10-23(27)28/h6-8,13,17,19-22,24-26H,2-5,9-12,14-15H2,1H3,(H,27,28)/t17?,19-,20-,21+,22-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+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 EP1 receptor expressed in COS-7 cells.				J Med Chem 43: 945-52 (2000) BindingDB Entry DOI: 10.7270/Q2MW2GCN
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