Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50474757'   

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))	BDBM50474757 (CHEMBL352854) Show SMILES CCC1(C)OC(=C(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H19F3O4S/c1-4-20(2)19(25)17(14-6-5-7-15(12-14)21(22,23)24)18(28-20)13-8-10-16(11-9-13)29(3,26)27/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
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