Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50266512'   

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))	BDBM50266512 (1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]t...) Show SMILES Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-17-18-19(16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3	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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of COX2 by enzyme immunoassay				Bioorg Med Chem 17: 1146-51 (2009) Article DOI: 10.1016/j.bmc.2008.12.032 BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
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