Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50306908'   

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))	BDBM50306908 (4-(4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F Show InChI InChI=1S/C19H24F3N5O5S/c20-19(21,22)18-13-17(26(24-18)15-3-5-16(6-4-15)33(23,30)31)14-7-10-25(11-8-14)9-1-2-12-32-27(28)29/h3-6,13-14H,1-2,7-12H2,(H2,23,30,31)	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	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem Lett 20: 1324-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV
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