Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50158441'   

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))	BDBM50158441 (CHEMBL224693 | N-[3-(3-chlorophenoxy)-4-pyridinyl]...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C12H8ClF3N2O3S/c13-8-2-1-3-9(6-8)21-11-7-17-5-4-10(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production				J Med Chem 47: 6749-59 (2004) Article DOI: 10.1021/jm049480l BindingDB Entry DOI: 10.7270/Q2FF3RVK
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