Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50431414'   

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))	BDBM50431414 (CHEMBL2348037) Show SMILES CNc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl Show InChI InChI=1S/C17H12BrClN4/c1-20-17-15-14(11-7-6-9(18)8-13(11)21-17)22-16(23-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...				Bioorg Med Chem 21: 2068-78 (2013) Article DOI: 10.1016/j.bmc.2013.01.018 BindingDB Entry DOI: 10.7270/Q2XW4M55
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