Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50365768'   

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))	BDBM50365768 (CHEMBL1956396) Show SMILES CN(C)c1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H17N5O2S/c1-20(2)13-6-4-12(5-7-13)16-17-18-19-21(16)14-8-10-15(11-9-14)24(3,22)23/h4-11H,1-3H3	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	6.00E+3	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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