Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50179619'   

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 (Canis familiaris)	BDBM50179619 (2-(5-isopropoxy-4-methyl-3-(trifluoromethyl)-1H-py...) Show SMILES CC(C)Oc1c(C)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H16F3N3O3S/c1-8(2)23-13-9(3)12(14(15,16)17)19-20(13)11-6-5-10(7-18-11)24(4,21)22/h5-8H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
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