Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50016439'   

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))	BDBM50016439 (CHEMBL3264687) Show SMILES [O-][N+](=O)c1cccc(c1)-n1cc(CSc2nc3ccccc3o2)nn1 Show InChI InChI=1S/C16H11N5O3S/c22-21(23)13-5-3-4-12(8-13)20-9-11(18-19-20)10-25-16-17-14-6-1-2-7-15(14)24-16/h1-9H,10H2	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	9.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin)				Eur J Med Chem 81: 204-17 (2014) Article DOI: 10.1016/j.ejmech.2014.05.012 BindingDB Entry DOI: 10.7270/Q2GM88VQ
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