Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50049887'   

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))	BDBM50049887 (CHEMBL3322405) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(F)c(F)c1 |c:14| Show InChI InChI=1S/C16H14F2N2O2S/c1-23(21,22)13-5-3-12(4-6-13)20-9-8-19-16(20)11-2-7-14(17)15(18)10-11/h2-7,10H,8-9H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay				Eur J Med Chem 84: 160-72 (2014) Article DOI: 10.1016/j.ejmech.2014.07.023 BindingDB Entry DOI: 10.7270/Q2WQ05FT
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