Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50272733'   

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))	BDBM50272733 (2-(3-Benzoyl-phenyl)-propionic acid 2,3-bis-nitroo...) Show SMILES CC(C(=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H18N2O9/c1-13(19(23)28-11-17(30-21(26)27)12-29-20(24)25)15-8-5-9-16(10-15)18(22)14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3	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	740	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood				Bioorg Med Chem Lett 18: 4655-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.018 BindingDB Entry DOI: 10.7270/Q2G73DH6
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