Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50109816'   

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 E synthase (Homo sapiens (Human))	BDBM50109816 (CHEMBL3604187) Show SMILES CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O Show InChI InChI=1S/C19H15ClN2O4S2/c1-2-26-15-9-11(7-8-14(15)23)10-16-18(25)22(19(27)28-16)21-17(24)12-5-3-4-6-13(12)20/h3-10,23H,2H2,1H3,(H,21,24)/b16-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...				Bioorg Med Chem 23: 4839-45 (2015) Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8
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