Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50326125'   

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 (Homo sapiens (Human))	BDBM50326125 (CHEMBL1240658 | N'-((4-oxo-4H-chromen-3-yl)methyle...) Show SMILES CCCC(=O)NN=Cc1coc2ccccc2c1=O |w:7.7| Show InChI InChI=1S/C14H14N2O3/c1-2-5-13(17)16-15-8-10-9-19-12-7-4-3-6-11(12)14(10)18/h3-4,6-9H,2,5H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of COX2				Eur J Med Chem 45: 4058-64 (2010) Article DOI: 10.1016/j.ejmech.2010.05.065 BindingDB Entry DOI: 10.7270/Q2GQ6ZQG
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