Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50346138'   

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 (Ovis aries (Sheep))	BDBM50346138 (3-benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazina...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C18H19NO3S2/c1-24(21,22)16-9-7-15(8-10-16)18-19(17(20)11-12-23-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent assay				Bioorg Med Chem Lett 19: 3162-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM
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