Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50066575'   

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))	BDBM50066575 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5...) Show SMILES CCCCNC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H29NO2/c1-7-8-9-20-17(21)13-10-14(18(2,3)4)16-15(11-13)19(5,6)12-22-16/h10-11H,7-9,12H2,1-6H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763
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