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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 = 'BDBM50153987'   
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


(Homo sapiens (Human))
BDBM50153987
PNG
(4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(nn2ncccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN4O2S/c19-14-7-3-13(4-8-14)18-17(16-2-1-11-21-23(16)22-18)12-5-9-15(10-6-12)26(20,24)25/h1-11H,(H2,20,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human cyclooxygenase-2 expressed in COS cells


Bioorg Med Chem Lett 14: 5445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.089
BindingDB Entry DOI: 10.7270/Q2RJ4HZ7
More data for this
Ligand-Target Pair