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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1 (COX-1)' and Ligand = 'BDBM50332752'   
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))
BDBM50332752
PNG
((2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoro...)
Show SMILES CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O |r,c:10|
Show InChI InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 20: 7159-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.054
BindingDB Entry DOI: 10.7270/Q23X86W1
More data for this
Ligand-Target Pair