Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176544'   

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)	BDBM50176544 (5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-(methylsul...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(C#N)c1N1CCCCCC1 Show InChI InChI=1S/C17H19F2N5O2S/c1-27(25,26)12-6-7-14(21-11-12)24-17(23-8-4-2-3-5-9-23)13(10-20)15(22-24)16(18)19/h6-7,11,16H,2-5,8-9H2,1H3	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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