Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50225132'   

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))	BDBM50225132 (2-trifluoromethyl-5-phenyl-6-(4''-(methylsulfonyl)...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sc(nn2c1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C18H12F3N3O2S2/c1-28(25,26)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)24-17(22-14)27-16(23-24)18(19,20)21/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of the West Indies Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem 16: 276-83 (2008) Article DOI: 10.1016/j.bmc.2007.09.038 BindingDB Entry DOI: 10.7270/Q22N520H
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