Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50434687'   

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))	BDBM50434687 (CHEMBL2387597) Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25)	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	53	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)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...				Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J
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