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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 = 'BDBM50176549'   
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)		BDBM50176549
PNG
(6-(4-cyano-5-((cis)-2,6-dimethylmorpholino)-3-(tri...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N6O3S/c1-9-7-24(8-10(2)28-9)15-12(5-20)14(16(17,18)19)23-25(15)13-4-3-11(6-22-13)29(21,26)27/h3-4,6,9-10H,7-8H2,1-2H3,(H2,21,26,27)/t9-,10+
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Similars
Article
PubMed
n/an/a 7.90E+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