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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase (Cyclooxygenase-2)' and Ligand = 'BDBM50355027'   
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355027
PNG
(CHEMBL1835056)
Show SMILES CC(=O)Oc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O4S/c1-11(25)28-14-4-2-3-12(9-14)16-10-17(18(19,20)21)23-24(16)13-5-7-15(8-6-13)29(22,26)27/h2-10H,1H3,(H2,22,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair