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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 = 'BDBM50176542'   
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)		BDBM50176542
PNG
(5-((cis)-2,6-dimethylmorpholino)-1-(5-(methylsulfo...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H18F3N5O3S/c1-10-8-24(9-11(2)28-10)16-13(6-21)15(17(18,19)20)23-25(16)14-5-4-12(7-22-14)29(3,26)27/h4-5,7,10-11H,8-9H2,1-3H3/t10-,11+
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n/an/a 140n/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