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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 = 'BDBM50153997'   
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))
BDBM50153997
PNG
(3-(4-Methanesulfonyl-phenyl)-2-p-tolyl-pyrazolo[1,...)
Show SMILES Cc1ccc(cc1)-c1nn2ncccc2c1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17N3O2S/c1-14-5-7-16(8-6-14)20-19(18-4-3-13-21-23(18)22-20)15-9-11-17(12-10-15)26(2,24)25/h3-13H,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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