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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1' and Monomerid = 50156594   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50156594
PNG
(3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methane...)
Show SMILES COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3
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Similars

Article
PubMed
n/an/a 4.43E+4n/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay


J Med Chem 47: 6195-206 (2004)


Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01
More data for this
Ligand-Target Pair