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PubMed code 23721952

Compile data set for download or QSAR
Found 34 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))		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 120n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436816
PNG
(CHEMBL3038175)
Show SMILES CN1C\C(=C/c2ccc(C)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C37H34N2O2S/c1-23-10-14-25(15-11-23)18-28-19-38(3)21-36(34(28)40)33(27-16-12-24(2)13-17-27)31-20-42-22-39(31)37(36)30-9-5-7-26-6-4-8-29(32(26)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b28-18+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436833
PNG
(CHEMBL3038155)
Show SMILES CN1C\C(=C/c2ccc(C)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C39H38N2O2/c1-25-13-17-27(18-14-25)22-30-23-40(3)24-38(36(30)42)35(29-19-15-26(2)16-20-29)33-12-4-5-21-41(33)39(38)32-11-7-9-28-8-6-10-31(34(28)32)37(39)43/h6-11,13-20,22,33,35H,4-5,12,21,23-24H2,1-3H3/b30-22+/t33-,35-,38-,39-/m0/s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436819
PNG
(CHEMBL3038151)
Show SMILES CN1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C45H38N2O2/c1-46-27-33(26-32-18-8-14-29-12-2-4-19-34(29)32)42(48)44(28-46)41(36-21-9-15-30-13-3-5-20-35(30)36)39-24-6-7-25-47(39)45(44)38-23-11-17-31-16-10-22-37(40(31)38)43(45)49/h2-5,8-23,26,39,41H,6-7,24-25,27-28H2,1H3/b33-26+/t39-,41-,44-,45-/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436827
PNG
(CHEMBL3038161)
Show SMILES CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C |r|
Show InChI InChI=1S/C39H38N2O2/c1-25-12-4-6-14-28(25)22-29-23-40(3)24-38(36(29)42)35(30-17-7-5-13-26(30)2)33-20-8-9-21-41(33)39(38)32-19-11-16-27-15-10-18-31(34(27)32)37(39)43/h4-7,10-19,22,33,35H,8-9,20-21,23-24H2,1-3H3/b29-22+/t33-,35-,38-,39-/m0/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436812
PNG
(CHEMBL3038164)
Show SMILES CN1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C35H28N4O6S/c1-36-17-24(16-21-8-12-25(13-9-21)38(42)43)32(40)34(19-36)31(23-10-14-26(15-11-23)39(44)45)29-18-46-20-37(29)35(34)28-7-3-5-22-4-2-6-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 4.56E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436810
PNG
(CHEMBL3038166)
Show SMILES CN1C\C(=C/c2ccccc2C)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1C |r|
Show InChI InChI=1S/C37H34N2O2S/c1-23-10-4-6-12-26(23)18-27-19-38(3)21-36(34(27)40)33(28-15-7-5-11-24(28)2)31-20-42-22-39(31)37(36)30-17-9-14-25-13-8-16-29(32(25)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b27-18+/t31-,33-,36-,37-/m0/s1
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n/an/a 6.28E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436806
PNG
(CHEMBL3038170)
Show SMILES CN1C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C35H28N4O6S/c1-36-17-24(14-21-6-2-10-25(15-21)38(42)43)32(40)34(19-36)31(23-9-3-11-26(16-23)39(44)45)29-18-46-20-37(29)35(34)28-13-5-8-22-7-4-12-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-14+/t29-,31-,34-,35-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436829
PNG
(CHEMBL3038159)
Show SMILES CN1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C37H32N4O6/c1-38-21-26(20-23-11-15-27(16-12-23)40(44)45)34(42)36(22-38)33(25-13-17-28(18-14-25)41(46)47)31-10-2-3-19-39(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)43/h4-9,11-18,20,31,33H,2-3,10,19,21-22H2,1H3/b26-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 9.16E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436803
PNG
(CHEMBL3038152)
Show SMILES CN1C\C(=C/c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C43H34N2O2S/c1-44-23-31(22-30-16-6-12-27-10-2-4-17-32(27)30)40(46)42(25-44)39(34-19-7-13-28-11-3-5-18-33(28)34)37-24-48-26-45(37)43(42)36-21-9-15-29-14-8-20-35(38(29)36)41(43)47/h2-22,37,39H,23-26H2,1H3/b31-22+/t37-,39-,42-,43-/m0/s1
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n/an/a 9.48E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436808
PNG
(CHEMBL3038168)
Show SMILES CN1C\C(=C/c2ccccc2Br)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Br |r|
Show InChI InChI=1S/C35H28Br2N2O2S/c1-38-17-23(16-22-8-2-4-14-27(22)36)32(40)34(19-38)31(24-11-3-5-15-28(24)37)29-18-42-20-39(29)35(34)26-13-7-10-21-9-6-12-25(30(21)26)33(35)41/h2-16,29,31H,17-20H2,1H3/b23-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436817
PNG
(CHEMBL3038174)
Show SMILES CN1C\C(=C/c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H28Cl2N2O2S/c1-38-17-24(16-21-8-12-25(36)13-9-21)32(40)34(19-38)31(23-10-14-26(37)15-11-23)29-18-42-20-39(29)35(34)28-7-3-5-22-4-2-6-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436807
PNG
(CHEMBL3038169)
Show SMILES CN1C\C(=C/c2cccc(F)c2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(F)c1 |r|
Show InChI InChI=1S/C35H28F2N2O2S/c1-38-17-24(14-21-6-2-10-25(36)15-21)32(40)34(19-38)31(23-9-3-11-26(37)16-23)29-18-42-20-39(29)35(34)28-13-5-8-22-7-4-12-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-14+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436826
PNG
(CHEMBL3038145)
Show SMILES COc1ccccc1\C=C1/CN(C)C[C@]2([C@H]([C@@H]3CCCCN3[C@@]22C(=O)c3cccc4cccc2c34)c2ccccc2OC)C1=O |r|
Show InChI InChI=1S/C39H38N2O4/c1-40-23-27(22-26-12-4-6-19-32(26)44-2)36(42)38(24-40)35(28-15-5-7-20-33(28)45-3)31-18-8-9-21-41(31)39(38)30-17-11-14-25-13-10-16-29(34(25)30)37(39)43/h4-7,10-17,19-20,22,31,35H,8-9,18,21,23-24H2,1-3H3/b27-22+/t31-,35-,38-,39-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436801
PNG
(CHEMBL3038154)
Show SMILES CN1C\C(=C/c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C37H32Cl2N2O2/c1-40-21-26(20-23-11-15-27(38)16-12-23)34(42)36(22-40)33(25-13-17-28(39)18-14-25)31-10-2-3-19-41(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)43/h4-9,11-18,20,31,33H,2-3,10,19,21-22H2,1H3/b26-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436811
PNG
(CHEMBL3038165)
Show SMILES CN1C\C(=C/c2ccccc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Cl |r|
Show InChI InChI=1S/C35H28Cl2N2O2S/c1-38-17-23(16-22-8-2-4-14-27(22)36)32(40)34(19-38)31(24-11-3-5-15-28(24)37)29-18-42-20-39(29)35(34)26-13-7-10-21-9-6-12-25(30(21)26)33(35)41/h2-16,29,31H,17-20H2,1H3/b23-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436815
PNG
(CHEMBL3038176)
Show SMILES COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CSCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1 |r|
Show InChI InChI=1S/C37H34N2O4S/c1-38-19-26(18-23-10-14-27(42-2)15-11-23)34(40)36(21-38)33(25-12-16-28(43-3)17-13-25)31-20-44-22-39(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b26-18+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436809
PNG
(CHEMBL3038167)
Show SMILES CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F |r|
Show InChI InChI=1S/C35H28F2N2O2S/c1-38-17-23(16-22-8-2-4-14-27(22)36)32(40)34(19-38)31(24-11-3-5-15-28(24)37)29-18-42-20-39(29)35(34)26-13-7-10-21-9-6-12-25(30(21)26)33(35)41/h2-16,29,31H,17-20H2,1H3/b23-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436831
PNG
(CHEMBL3038157)
Show SMILES CN1C\C(=C/c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C37H32F2N2O2/c1-40-21-26(20-23-11-15-27(38)16-12-23)34(42)36(22-40)33(25-13-17-28(39)18-14-25)31-10-2-3-19-41(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)43/h4-9,11-18,20,31,33H,2-3,10,19,21-22H2,1H3/b26-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436830
PNG
(CHEMBL3038158)
Show SMILES CN1C\C(=C/c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C37H32Br2N2O2/c1-40-21-26(20-23-11-15-27(38)16-12-23)34(42)36(22-40)33(25-13-17-28(39)18-14-25)31-10-2-3-19-41(31)37(36)30-9-5-7-24-6-4-8-29(32(24)30)35(37)43/h4-9,11-18,20,31,33H,2-3,10,19,21-22H2,1H3/b26-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436814
PNG
(CHEMBL3038162)
Show SMILES CN1C\C(=C/c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H28F2N2O2S/c1-38-17-24(16-21-8-12-25(36)13-9-21)32(40)34(19-38)31(23-10-14-26(37)15-11-23)29-18-42-20-39(29)35(34)28-7-3-5-22-4-2-6-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436818
PNG
(CHEMBL3038173)
Show SMILES CN1C\C(=C/c2ccccc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N2O2S/c1-36-19-26(18-23-10-4-2-5-11-23)32(38)34(21-36)31(25-12-6-3-7-13-25)29-20-40-22-37(29)35(34)28-17-9-15-24-14-8-16-27(30(24)28)33(35)39/h2-18,29,31H,19-22H2,1H3/b26-18+/t29-,31-,34-,35-/m0/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436820
PNG
(CHEMBL3038150)
Show SMILES CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C37H30Cl4N2O2/c1-42-19-23(16-22-11-12-24(38)17-29(22)40)34(44)36(20-42)33(26-14-13-25(39)18-30(26)41)31-10-2-3-15-43(31)37(36)28-9-5-7-21-6-4-8-27(32(21)28)35(37)45/h4-9,11-14,16-18,31,33H,2-3,10,15,19-20H2,1H3/b23-16+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436802
PNG
(CHEMBL3038153)
Show SMILES CN1C\C(=C/c2ccccc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1 |r|
Show InChI InChI=1S/C37H34N2O2/c1-38-23-28(22-25-12-4-2-5-13-25)34(40)36(24-38)33(27-14-6-3-7-15-27)31-20-8-9-21-39(31)37(36)30-19-11-17-26-16-10-18-29(32(26)30)35(37)41/h2-7,10-19,22,31,33H,8-9,20-21,23-24H2,1H3/b28-22+/t31-,33-,36-,37-/m0/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436805
PNG
(CHEMBL3038171)
Show SMILES CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C35H26Cl4N2O2S/c1-40-15-21(14-20-8-4-12-25(36)30(20)38)32(42)34(17-40)29(23-10-5-13-26(37)31(23)39)27-16-44-18-41(27)35(34)24-11-3-7-19-6-2-9-22(28(19)24)33(35)43/h2-14,27,29H,15-18H2,1H3/b21-14+/t27-,29-,34-,35-/m0/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436813
PNG
(CHEMBL3038163)
Show SMILES CN1C\C(=C/c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C35H28Br2N2O2S/c1-38-17-24(16-21-8-12-25(36)13-9-21)32(40)34(19-38)31(23-10-14-26(37)15-11-23)29-18-42-20-39(29)35(34)28-7-3-5-22-4-2-6-27(30(22)28)33(35)41/h2-16,29,31H,17-20H2,1H3/b24-16+/t29-,31-,34-,35-/m0/s1
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n/an/a 2.03E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436828
PNG
(CHEMBL3038160)
Show SMILES CN1C\C(=C/c2ccccc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Cl |r|
Show InChI InChI=1S/C37H32Cl2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 2.13E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436832
PNG
(CHEMBL3038156)
Show SMILES COc1ccc(\C=C2/CN(C)C[C@]3([C@H]([C@@H]4CCCCN4[C@@]33C(=O)c4cccc5cccc3c45)c3ccc(OC)cc3)C2=O)cc1 |r|
Show InChI InChI=1S/C39H38N2O4/c1-40-23-28(22-25-13-17-29(44-2)18-14-25)36(42)38(24-40)35(27-15-19-30(45-3)20-16-27)33-12-4-5-21-41(33)39(38)32-11-7-9-26-8-6-10-31(34(26)32)37(39)43/h6-11,13-20,22,33,35H,4-5,12,21,23-24H2,1-3H3/b28-22+/t33-,35-,38-,39-/m0/s1
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n/an/a 2.23E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436804
PNG
(CHEMBL3038172)
Show SMILES CN1C\C(=C/c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C35H26Cl4N2O2S/c1-40-15-21(12-20-8-9-22(36)13-27(20)38)32(42)34(17-40)31(24-11-10-23(37)14-28(24)39)29-16-44-18-41(29)35(34)26-7-3-5-19-4-2-6-25(30(19)26)33(35)43/h2-14,29,31H,15-18H2,1H3/b21-12+/t29-,31-,34-,35-/m0/s1
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n/an/a 2.32E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436821
PNG
(CHEMBL3038149)
Show SMILES CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C37H30Cl4N2O2/c1-42-19-23(18-22-10-6-14-27(38)32(22)40)34(44)36(20-42)31(25-12-7-15-28(39)33(25)41)29-16-2-3-17-43(29)37(36)26-13-5-9-21-8-4-11-24(30(21)26)35(37)45/h4-15,18,29,31H,2-3,16-17,19-20H2,1H3/b23-18+/t29-,31-,36-,37-/m0/s1
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n/an/a 2.42E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436822
PNG
(CHEMBL3038148)
Show SMILES CN1C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C37H32N4O6/c1-38-21-26(18-23-8-4-12-27(19-23)40(44)45)34(42)36(22-38)33(25-11-5-13-28(20-25)41(46)47)31-16-2-3-17-39(31)37(36)30-15-7-10-24-9-6-14-29(32(24)30)35(37)43/h4-15,18-20,31,33H,2-3,16-17,21-22H2,1H3/b26-18+/t31-,33-,36-,37-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436823
PNG
(CHEMBL3038147)
Show SMILES CN1C\C(=C/c2cccc(F)c2)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(F)c1 |r|
Show InChI InChI=1S/C37H32F2N2O2/c1-40-21-26(18-23-8-4-12-27(38)19-23)34(42)36(22-40)33(25-11-5-13-28(39)20-25)31-16-2-3-17-41(31)37(36)30-15-7-10-24-9-6-14-29(32(24)30)35(37)43/h4-15,18-20,31,33H,2-3,16-17,21-22H2,1H3/b26-18+/t31-,33-,36-,37-/m0/s1
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n/an/a 3.26E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436825
PNG
(CHEMBL3038144)
Show SMILES CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F |r|
Show InChI InChI=1S/C37H32F2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 3.42E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50436824
PNG
(CHEMBL3038146)
Show SMILES CN1C\C(=C/c2ccccc2Br)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1Br |r|
Show InChI InChI=1S/C37H32Br2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/m0/s1
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n/an/a 3.83E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%