Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50313216'   

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))	BDBM50313216 (4-Hydroxy-7-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...) Show SMILES COc1ccc2C(O)=C(NS(=O)(=O)c2c1)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:7| Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-8-16-19(11-15)32(29,30)26-20(21(16)27)22(28)25-14-5-2-12(3-6-14)13-4-9-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)	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	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. St. Louis Laboratory Curated by ChEMBL					Assay Description Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA				Bioorg Med Chem Lett 20: 1604-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.060 BindingDB Entry DOI: 10.7270/Q25X292V
					More data for this Ligand-Target Pair