Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50396890'   

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))	BDBM50396890 (CHEMBL2170686) Show SMILES COc1cccc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-17(22)23)14-4-3-5-16(25-2)18(14)21(11)19(24)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by colorimetric assay				J Med Chem 55: 8152-63 (2012) Article DOI: 10.1021/jm301084z BindingDB Entry DOI: 10.7270/Q2BC40NJ
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