Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176529'   

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)	BDBM50176529 (6-(4-cyano-5-(neopentylamino)-3-(trifluoromethyl)-...) Show SMILES CC(C)(C)CNc1c(C#N)c(nn1-c1ccc(cn1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H17F3N6O2S/c1-14(2,3)8-22-13-10(6-19)12(15(16,17)18)23-24(13)11-5-4-9(7-21-11)27(20,25)26/h4-5,7,22H,8H2,1-3H3,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against COX2 in canine whole blood				Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S
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