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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50327939'   
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


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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Article
PubMed
2.09E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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Article
PubMed
2.09E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot


J Med Chem 57: 7073-84 (2014)


Article DOI: 10.1021/jm5008648
BindingDB Entry DOI: 10.7270/Q23T9JWH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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PubMed
6.34E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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6.34E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot


J Med Chem 57: 7073-84 (2014)


Article DOI: 10.1021/jm5008648
BindingDB Entry DOI: 10.7270/Q23T9JWH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00048
BindingDB Entry DOI: 10.7270/Q24F1VNK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...


J Med Chem 58: 8985-9003 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01325
BindingDB Entry DOI: 10.7270/Q29P33GZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB-reagent based Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128100
BindingDB Entry DOI: 10.7270/Q2WD44BG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AChE assessed as reduction in cholinesterase activity using acetylthiocholine iodide as substrate by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113434
BindingDB Entry DOI: 10.7270/Q2PC365G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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Article
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...


Eur J Med Chem 168: 491-514 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...


Eur J Med Chem 150: 292-306 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.083
BindingDB Entry DOI: 10.7270/Q2W95CT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method


J Med Chem 57: 8576-89 (2014)


Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbottabad University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured at 1 min ti...


Bioorg Med Chem 26: 3731-3762 (2018)


Article DOI: 10.1016/j.bmc.2018.05.042
BindingDB Entry DOI: 10.7270/Q29889HN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE pre-incubated for 5 mins before acetylthiocholine substrate addition by Ellman's method


J Med Chem 57: 7073-84 (2014)


Article DOI: 10.1021/jm5008648
BindingDB Entry DOI: 10.7270/Q23T9JWH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins


Bioorg Med Chem Lett 20: 6093-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.044
BindingDB Entry DOI: 10.7270/Q2K937RW
More data for this
Ligand-Target Pair