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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50168437   
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))
BDBM50168437
PNG
(CHEMBL192558 | {[(Z)-2-oxido-2-pyrrolidin-1-yldiaz...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)OCO\N=[N+](/[O-])N1CCCC1
Show InChI InChI=1S/C18H27N3O4/c1-14(2)12-16-6-8-17(9-7-16)15(3)18(22)24-13-25-19-21(23)20-10-4-5-11-20/h6-9,14-15H,4-5,10-13H2,1-3H3/b21-19-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against COX-2 enzyme


J Med Chem 48: 4061-7 (2005)


Article DOI: 10.1021/jm050211k
BindingDB Entry DOI: 10.7270/Q2FX790B
More data for this
Ligand-Target Pair