Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176543'   

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)	BDBM50176543 (6-(4-cyano-5-((tetrahydrofuran-2-yl)methylamino)-3...) Show SMILES NS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NCC1CCCO1)C(F)(F)F Show InChI InChI=1S/C15H15F3N6O3S/c16-15(17,18)13-11(6-19)14(22-7-9-2-1-5-27-9)24(23-13)12-4-3-10(8-21-12)28(20,25)26/h3-4,8-9,22H,1-2,5,7H2,(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	1.25E+3	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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