Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50150729'   

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 1 (Ovis aries (Sheep))	BDBM50150729 (3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-6...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(cc2)S(C)(=O)=O)c(-c2ccc(F)cc2)c(=O)o1 Show InChI InChI=1S/C25H19FO5S/c1-30-20-11-5-17(6-12-20)23-15-22(16-7-13-21(14-8-16)32(2,28)29)24(25(27)31-23)18-3-9-19(26)10-4-18/h3-15H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine Prostaglandin G/H synthase 1				J Med Chem 47: 3972-90 (2004) Article DOI: 10.1021/jm049939b BindingDB Entry DOI: 10.7270/Q22F7MXX
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