Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50142689'   

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))	BDBM50142689 (CHEMBL3759314) Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addit...				Eur J Med Chem 108: 466-75 (2016) Article DOI: 10.1016/j.ejmech.2015.11.048 BindingDB Entry DOI: 10.7270/Q2BR8V14
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