Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50203691'   

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 (Mus musculus (Mouse))	BDBM50203691 (2-ethylthio-5-(4-methylsulfonylphenyl)-1-phenylimi...) Show SMILES CCSc1ncc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c1-3-23-18-19-13-17(20(18)15-7-5-4-6-8-15)14-9-11-16(12-10-14)24(2,21)22/h4-13H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem 15: 1976-82 (2007) Article DOI: 10.1016/j.bmc.2006.12.041 BindingDB Entry DOI: 10.7270/Q2S75FZ0
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