Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176540'   

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)	BDBM50176540 (6-(5-(bicyclo[2.2.1]heptan-2-ylamino)-4-cyano-3-(t...) Show SMILES NS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1NC1CC2CCC1C2)C(F)(F)F |TLB:17:18:22.21:24| Show InChI InChI=1S/C17H17F3N6O2S/c18-17(19,20)15-12(7-21)16(24-13-6-9-1-2-10(13)5-9)26(25-15)14-4-3-11(8-23-14)29(22,27)28/h3-4,8-10,13,24H,1-2,5-6H2,(H2,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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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