Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50431407'   

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))	BDBM50431407 (CHEMBL2348044) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)n(Cc1ccccc1)c1cc(Br)ccc21 Show InChI InChI=1S/C23H15BrClN3O/c24-15-10-11-17-19(12-15)28(13-14-6-2-1-3-7-14)23(29)21-20(17)26-22(27-21)16-8-4-5-9-18(16)25/h1-12H,13H2,(H,26,27)	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	226	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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