Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50431412'   

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))	BDBM50431412 (CHEMBL2348039) Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=S)[nH]c1cc(Br)ccc21 Show InChI InChI=1S/C16H9BrClN3S/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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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