Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50294195'   

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))	BDBM50294195 (5-((1H-tetrazol-5-yl)methyl)-6-(4-chlorophenyl)-2,...) Show SMILES CC1(C)Cc2c(c(c(Cc3nnn[nH]3)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClN5/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(29(19)14-23)12-20-25-27-28-26-20/h3-11H,12-14H2,1-2H3,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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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