Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50131647'   

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))	BDBM50131647 (4-[4-Chloro-5-(4-fluoro-3-methoxy-phenyl)-imidazol...) Show SMILES COc1cc(ccc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13ClFN3O3S/c1-24-14-8-10(2-7-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Domp&egrove; pha.r.ma s.p.a. Curated by ChEMBL					Assay Description In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined				J Med Chem 46: 3463-75 (2003) Article DOI: 10.1021/jm030765s BindingDB Entry DOI: 10.7270/Q2HQ3Z98
					More data for this Ligand-Target Pair