Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50365753'   

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))	BDBM50365753 (CHEMBL1956381) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccccc1 Show InChI InChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20)	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem Lett 22: 2235-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.093 BindingDB Entry DOI: 10.7270/Q2S182ZH
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