Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50131608'   

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))	BDBM50131608 (4-Chloro-5-(2,3-dichloro-phenyl)-1-(4-methanesulfo...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cccc(Cl)c1Cl |(14.99,-4.85,;13.47,-5.19,;13.82,-6.69,;13.14,-3.68,;11.97,-5.52,;10.92,-4.4,;9.42,-4.75,;8.96,-6.22,;10.01,-7.35,;11.51,-7.01,;7.46,-6.57,;6.93,-8,;5.41,-7.93,;4.99,-6.46,;3.65,-5.69,;6.27,-5.61,;6.27,-4.05,;4.94,-3.28,;4.94,-1.74,;6.27,-.97,;7.6,-1.74,;8.94,-.96,;7.6,-3.28,;8.94,-4.07,)| Show InChI InChI=1S/C16H11Cl3N2O2S/c1-24(22,23)11-7-5-10(6-8-11)21-9-20-16(19)15(21)12-3-2-4-13(17)14(12)18/h2-9H,1H3	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	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
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