Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50297686'   

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 G/H synthase 2 (Homo sapiens (Human))	BDBM50297686 (2-(cyclohexyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O3S/c1-27(24,25)14-9-7-12(8-10-14)15-11-16(18(19,20)21)23-17(22-15)26-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
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