Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50492038'   

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))	BDBM50492038 (CHEMBL2391053) Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C19H18N2O3S/c1-14-16(13-20-22)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)25(2,23)24/h3-13,22H,1-2H3/b20-13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Sapienza Curated by ChEMBL					Assay Description Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay				Bioorg Med Chem 21: 3695-701 (2013) Article DOI: 10.1016/j.bmc.2013.04.031 BindingDB Entry DOI: 10.7270/Q2GT5R3K
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