Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50308509'   

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))	BDBM50308509 (4-(4-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazo...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc(Br)cc1 Show InChI InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-23(22-15(14)16(18,19)20)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem 18: 2204-18 (2010) Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ
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