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PubMed code 25462245

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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))
BDBM50038390
PNG
(CHEMBL3352904)
Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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PubMed
490n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Lineweaver-Burk plot


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038390
PNG
(CHEMBL3352904)
Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a 190n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 280n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038393
PNG
(CHEMBL3361112)
Show SMILES COc1ccc(cc1)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a 310n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038387
PNG
(CHEMBL3361117)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc2ccccc12
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n/an/a 320n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 350n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038391
PNG
(CHEMBL3361114)
Show SMILES COc1ccc(OC)c(c1)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a 500n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038384
PNG
(CHEMBL3361109)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccccc1F
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n/an/a 590n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038386
PNG
(CHEMBL3361118)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c3cccs3)c12
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n/an/a 720n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038385
PNG
(CHEMBL3361108)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(C)cc1
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n/an/a 750n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038383
PNG
(CHEMBL3361110)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(F)cc1
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n/an/a 810n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038388
PNG
(CHEMBL3361116)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Cl)c1Cl
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n/an/a 870n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038389
PNG
(CHEMBL3361115)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a 2.18E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038382
PNG
(CHEMBL3361111)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(c1)[N+]([O-])=O
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n/an/a 3.27E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038385
PNG
(CHEMBL3361108)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(C)cc1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50038392
PNG
(CHEMBL3361113)
Show SMILES COc1ccccc1C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038387
PNG
(CHEMBL3361117)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc2ccccc12
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n/an/a 1.50E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038386
PNG
(CHEMBL3361118)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c3cccs3)c12
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n/an/a 1.60E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038383
PNG
(CHEMBL3361110)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(F)cc1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038384
PNG
(CHEMBL3361109)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1ccccc1F
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n/an/a 3.30E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038389
PNG
(CHEMBL3361115)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038388
PNG
(CHEMBL3361116)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Cl)c1Cl
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038392
PNG
(CHEMBL3361113)
Show SMILES COc1ccccc1C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038393
PNG
(CHEMBL3361112)
Show SMILES COc1ccc(cc1)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038382
PNG
(CHEMBL3361111)
Show SMILES Cc1[nH]nc2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(c1)[N+]([O-])=O
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038391
PNG
(CHEMBL3361114)
Show SMILES COc1ccc(OC)c(c1)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50038390
PNG
(CHEMBL3352904)
Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
PDB

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



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%