Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase 2' and Ligand = 'BDBM50339572'   

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 2 (Homo sapiens (Human))	BDBM50339572 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21-14-24(23-22-21)15-26-20-4-2-1-3-5-20/h1-14,25H,15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
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