Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50306357'   

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))	BDBM50306357 (2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline-4-c...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1-c1ccccc1 Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23(25)26)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University MC Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay				Bioorg Med Chem 18: 1029-33 (2010) Article DOI: 10.1016/j.bmc.2009.12.060 BindingDB Entry DOI: 10.7270/Q2V40V94
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