Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50207448'   

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))	BDBM50207448 (2-(2',6'-diethoxy-2-fluoro-biphenyl4-yl)-propionic...) Show SMILES CCOc1cccc(OCC)c1-c1ccc(cc1F)C(C)C(O)=O |w:19.21,(26.76,-25.54,;28.1,-24.77,;29.43,-25.54,;30.76,-24.77,;30.77,-23.22,;32.1,-22.45,;33.43,-23.22,;33.44,-24.77,;34.77,-25.54,;36.1,-24.76,;37.44,-25.53,;32.1,-25.54,;32.1,-27.08,;30.76,-27.84,;30.76,-29.38,;32.1,-30.15,;33.44,-29.38,;33.43,-27.84,;34.76,-27.07,;32.1,-31.69,;30.77,-32.47,;33.43,-32.46,;33.44,-34.01,;34.77,-31.69,)| Show InChI InChI=1S/C19H21FO4/c1-4-23-16-7-6-8-17(24-5-2)18(16)14-10-9-13(11-15(14)20)12(3)19(21)22/h6-12H,4-5H2,1-3H3,(H,21,22)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ
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