Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50294199'   

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))	BDBM50294199 (2-(6-(benzofuran-6-yl)-2,2-dimethyl-7-phenyl-2,3-d...) Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc2ccoc2c1)-c1ccccc1 Show InChI InChI=1S/C25H23NO3/c1-25(2)14-20-23(17-6-4-3-5-7-17)24(19(13-22(27)28)26(20)15-25)18-9-8-16-10-11-29-21(16)12-18/h3-12H,13-15H2,1-2H3,(H,27,28)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...				J Med Chem 52: 4968-72 (2009) Article DOI: 10.1021/jm900481c BindingDB Entry DOI: 10.7270/Q29C6XGX
					More data for this Ligand-Target Pair