Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50294196'   

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))	BDBM50294196 (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...) Show SMILES CC1(C)Cc2c(c(c(CC(=O)NS(=O)(=O)c3ccccc3)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27ClN2O3S/c1-29(2)18-25-28(20-9-5-3-6-10-20)27(21-13-15-22(30)16-14-21)24(32(25)19-29)17-26(33)31-36(34,35)23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,31,33)	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	4.50E+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
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