Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176534'   

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)	BDBM50176534 (5-(cyclopropylmethylamino)-1-(5-(methylsulfonyl)py...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CC1)C(F)(F)F Show InChI InChI=1S/C15H14F3N5O2S/c1-26(24,25)10-4-5-12(20-8-10)23-14(21-7-9-2-3-9)11(6-19)13(22-23)15(16,17)18/h4-5,8-9,21H,2-3,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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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