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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM227562'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM227562
PNG
(Diethyl-3-cyano-1-p-tolylpropylphosphate (3c))
Show SMILES CCOP(=O)(OCC)OC(CCC#N)c1ccc(C)cc1
Show InChI InChI=1S/C15H22NO4P/c1-4-18-21(17,19-5-2)20-15(7-6-12-16)14-10-8-13(3)9-11-14/h8-11,15H,4-7H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.61E+3n/an/an/an/an/an/a



University of Carthage



Assay Description
The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...


Bioorg Chem 72: 301-307 (2017)


BindingDB Entry DOI: 10.7270/Q21G0K51
More data for this
Ligand-Target Pair