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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50176553'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prostaglandin G/H synthase 2


(Canis familiaris)		BDBM50176553
PNG
(6-(4-cyano-5-(3,5-dimethylpiperidin-1-yl)-3-(trifl...)
Show SMILES CC1CC(C)CN(C1)c1c(C#N)c(nn1-c1ccc(cn1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O2S/c1-10-5-11(2)9-25(8-10)16-13(6-21)15(17(18,19)20)24-26(16)14-4-3-12(7-23-14)29(22,27)28/h3-4,7,10-11H,5,8-9H2,1-2H3,(H2,22,27,28)
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Article
PubMed
n/an/a 1.87E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair