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PubMed code 25681712

Compile data set for download or QSAR
Found 16 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))		BDBM50073207
PNG
(CHEMBL3408398)
Show SMILES [Br-].Cc1cc(C)cc(C[n+]2ccc(cc2)-c2cc3ccccc3o2)c1
Show InChI InChI=1S/C22H20NO.BrH/c1-16-11-17(2)13-18(12-16)15-23-9-7-19(8-10-23)22-14-20-5-3-4-6-21(20)24-22;/h3-14H,15H2,1-2H3;1H/q+1;/p-1
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n/an/a 4.10n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073217
PNG
(CHEMBL3408242)
Show SMILES [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C20H15N2O3/c23-22(24)18-7-3-1-6-17(18)14-21-11-9-15(10-12-21)20-13-16-5-2-4-8-19(16)25-20/h1-13H,14H2/q+1
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n/an/a 4.90n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073208
PNG
(CHEMBL3408397)
Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc(cc2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C20H15N2O3.BrH/c23-22(24)18-7-5-15(6-8-18)14-21-11-9-16(10-12-21)20-13-17-3-1-2-4-19(17)25-20;/h1-13H,14H2;1H/q+1;/p-1
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n/an/a 5.80n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073220
PNG
(CHEMBL3408241)
Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C21H18NO/c1-16-6-2-3-8-19(16)15-22-12-10-17(11-13-22)21-14-18-7-4-5-9-20(18)23-21/h2-14H,15H2,1H3/q+1
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n/an/a 6.80n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073202
PNG
(CHEMBL3408403)
Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C20H14BrN2O3/c21-17-3-6-19-16(11-17)12-20(26-19)15-7-9-22(10-8-15)13-14-1-4-18(5-2-14)23(24)25/h1-12H,13H2/q+1
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n/an/a 8.10n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073204
PNG
(CHEMBL3408401)
Show SMILES [Br-].Fc1ccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C20H14BrFNO.BrH/c21-17-3-6-19-16(11-17)12-20(24-19)15-7-9-23(10-8-15)13-14-1-4-18(22)5-2-14;/h1-12H,13H2;1H/q+1;/p-1
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n/an/a 8.70n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073205
PNG
(CHEMBL3408400)
Show SMILES [Br-].Fc1cccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)c1
Show InChI InChI=1S/C20H14BrFNO.BrH/c21-17-4-5-19-16(11-17)12-20(24-19)15-6-8-23(9-7-15)13-14-2-1-3-18(22)10-14;/h1-12H,13H2;1H/q+1;/p-1
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n/an/a 9.60n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073191
PNG
(CHEMBL3408408)
Show SMILES [Br-].COc1cccc2cc(oc12)-c1cc[n+](Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H17N2O4/c1-26-19-4-2-3-17-13-20(27-21(17)19)16-9-11-22(12-10-16)14-15-5-7-18(8-6-15)23(24)25/h2-13H,14H2,1H3/q+1
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n/an/a 11n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073206
PNG
(CHEMBL3408399)
Show SMILES [Br-].Brc1ccc2oc(cc2c1)-c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C20H15BrNO.BrH/c21-18-6-7-19-17(12-18)13-20(23-19)16-8-10-22(11-9-16)14-15-4-2-1-3-5-15;/h1-13H,14H2;1H/q+1;/p-1
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n/an/a 14n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073209
PNG
(CHEMBL3408243)
Show SMILES [Br-].Brc1ccc(C[n+]2ccc(cc2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C20H15BrNO.BrH/c21-18-7-5-15(6-8-18)14-22-11-9-16(10-12-22)20-13-17-3-1-2-4-19(17)23-20;/h1-13H,14H2;1H/q+1;/p-1
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n/an/a 16n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073200
PNG
(CHEMBL3408405)
Show SMILES [Br-].COc1cccc2cc(oc12)-c1cc[n+](Cc2cccc(F)c2)cc1
Show InChI InChI=1S/C21H17FNO2/c1-24-19-7-3-5-17-13-20(25-21(17)19)16-8-10-23(11-9-16)14-15-4-2-6-18(22)12-15/h2-13H,14H2,1H3/q+1
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n/an/a 19n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073193
PNG
(CHEMBL3408406)
Show SMILES [Br-].COc1cccc2cc(oc12)-c1cc[n+](Cc2cccc(Br)c2)cc1
Show InChI InChI=1S/C21H17BrNO2/c1-24-19-7-3-5-17-13-20(25-21(17)19)16-8-10-23(11-9-16)14-15-4-2-6-18(22)12-15/h2-13H,14H2,1H3/q+1
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n/an/a 22n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073201
PNG
(CHEMBL3408404)
Show SMILES [Br-].COc1cccc2cc(oc12)-c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C21H18NO2/c1-23-19-9-5-8-18-14-20(24-21(18)19)17-10-12-22(13-11-17)15-16-6-3-2-4-7-16/h2-14H,15H2,1H3/q+1
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n/an/a 27n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073192
PNG
(CHEMBL3408407)
Show SMILES [Br-].COc1cccc2cc(oc12)-c1cc[n+](Cc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H17BrNO2/c1-24-19-4-2-3-17-13-20(25-21(17)19)16-9-11-23(12-10-16)14-15-5-7-18(22)8-6-15/h2-13H,14H2,1H3/q+1
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n/an/a 30n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50073203
PNG
(CHEMBL3408402)
Show SMILES [Br-].Brc1ccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C20H14Br2NO/c21-17-3-1-14(2-4-17)13-23-9-7-15(8-10-23)20-12-16-11-18(22)5-6-19(16)24-20/h1-12H,13H2/q+1
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n/an/a 32n/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method

Eur J Med Chem 93: 196-201 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.009
BindingDB Entry DOI: 10.7270/Q2CF9RTS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%