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Compile Data Set for Download or QSAR

Found 41 hits from Chinese Academy of Agricultural Sciences   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163325
PNG
(CHEMBL3793831)
Show SMILES O=C1N(C\C=C\CN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)23(28)26(22)13-7-6-12-24-14-16-25(17-15-24)18-19-8-2-1-3-9-19/h1-11H,12-18H2/b7-6+
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n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163349
PNG
(CHEMBL3793355)
Show SMILES O=C1N(CCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c27-22-20-10-4-5-11-21(20)23(28)26(22)13-7-6-12-24-14-16-25(17-15-24)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2
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n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
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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PubMed
n/an/a 20n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50163321
PNG
(CHEMBL3793136)
Show SMILES O=C1N(CCCCCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H37N3O2/c32-27-25-15-9-10-16-26(25)28(33)31(27)18-12-5-3-1-2-4-11-17-29-19-21-30(22-20-29)23-24-13-7-6-8-14-24/h6-10,13-16H,1-5,11-12,17-23H2
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n/an/a 33n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by Ellman's method-based spectrophotometric analysis


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163348
PNG
(CHEMBL3794488)
Show SMILES O=C1N(CCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H29N3O2/c28-23-21-11-5-6-12-22(21)24(29)27(23)14-8-2-7-13-25-15-17-26(18-16-25)19-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163322
PNG
(CHEMBL3794231)
Show SMILES COc1cc2OC(=O)C(C)C(C)c2cc1OCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C26H34N2O5/c1-18-19(2)26(29)33-23-17-24(31-4)25(16-20(18)23)32-15-7-10-27-11-13-28(14-12-27)21-8-5-6-9-22(21)30-3/h5-6,8-9,16-19H,7,10-15H2,1-4H3
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n/an/a 36n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163321
PNG
(CHEMBL3793136)
Show SMILES O=C1N(CCCCCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C28H37N3O2/c32-27-25-15-9-10-16-26(25)28(33)31(27)18-12-5-3-1-2-4-11-17-29-19-21-30(22-20-29)23-24-13-7-6-8-14-24/h6-10,13-16H,1-5,11-12,17-23H2
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n/an/a 41n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163346
PNG
(CHEMBL3792967)
Show SMILES O=C1N(CCCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H33N3O2/c30-25-23-13-7-8-14-24(23)26(31)29(25)16-10-3-1-2-9-15-27-17-19-28(20-18-27)21-22-11-5-4-6-12-22/h4-8,11-14H,1-3,9-10,15-21H2
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n/an/a 54n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163351
PNG
(CHEMBL3793386)
Show SMILES O=C1N(CCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c25-20-18-8-4-5-9-19(18)21(26)24(20)15-14-22-10-12-23(13-11-22)16-17-6-2-1-3-7-17/h1-9H,10-16H2
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n/an/a 91n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163347
PNG
(CHEMBL3792452)
Show SMILES O=C1N(CCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C25H31N3O2/c29-24-22-12-6-7-13-23(22)25(30)28(24)15-9-2-1-8-14-26-16-18-27(19-17-26)20-21-10-4-3-5-11-21/h3-7,10-13H,1-2,8-9,14-20H2
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163350
PNG
(CHEMBL3793256)
Show SMILES O=C1N(CCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H25N3O2/c26-21-19-9-4-5-10-20(19)22(27)25(21)12-6-11-23-13-15-24(16-14-23)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2
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n/an/a 123n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163345
PNG
(CHEMBL3792971)
Show SMILES O=C1N(CCCCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H35N3O2/c31-26-24-14-8-9-15-25(24)27(32)30(26)17-11-4-2-1-3-10-16-28-18-20-29(21-19-28)22-23-12-6-5-7-13-23/h5-9,12-15H,1-4,10-11,16-22H2
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n/an/a 204n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163344
PNG
(CHEMBL3793121)
Show SMILES O=C1N(CCCCCCCCCCN2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C29H39N3O2/c33-28-26-16-10-11-17-27(26)29(34)32(28)19-13-6-4-2-1-3-5-12-18-30-20-22-31(23-21-30)24-25-14-8-7-9-15-25/h7-11,14-17H,1-6,12-13,18-24H2
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n/an/a 350n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163324
PNG
(CHEMBL3792477)
Show SMILES Clc1ccc(CN2CCN(C\C=C\CN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H24ClN3O2/c24-19-9-7-18(8-10-19)17-26-15-13-25(14-16-26)11-3-4-12-27-22(28)20-5-1-2-6-21(20)23(27)29/h1-10H,11-17H2/b4-3+
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n/an/a 384n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163339
PNG
(CHEMBL3793825)
Show SMILES Clc1ccc(CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C25H30ClN3O2/c26-21-11-9-20(10-12-21)19-28-17-15-27(16-18-28)13-5-1-2-6-14-29-24(30)22-7-3-4-8-23(22)25(29)31/h3-4,7-12H,1-2,5-6,13-19H2
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n/an/a 389n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163332
PNG
(CHEMBL3792494)
Show SMILES COc1ccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C24H29N3O3/c1-30-20-10-8-19(9-11-20)18-26-16-14-25(15-17-26)12-4-5-13-27-23(28)21-6-2-3-7-22(21)24(27)29/h2-3,6-11H,4-5,12-18H2,1H3
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n/an/a 403n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163337
PNG
(CHEMBL3792561)
Show SMILES Clc1ccc(CN2CCN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C27H34ClN3O2/c28-23-13-11-22(12-14-23)21-30-19-17-29(18-20-30)15-7-3-1-2-4-8-16-31-26(32)24-9-5-6-10-25(24)27(31)33/h5-6,9-14H,1-4,7-8,15-21H2
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n/an/a 440n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163329
PNG
(CHEMBL3793172)
Show SMILES COc1ccc(CN2CCN(CCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C27H35N3O3/c1-33-23-13-11-22(12-14-23)21-29-19-17-28(18-20-29)15-7-3-2-4-8-16-30-26(31)24-9-5-6-10-25(24)27(30)32/h5-6,9-14H,2-4,7-8,15-21H2,1H3
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n/an/a 448n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163334
PNG
(CHEMBL3793762)
Show SMILES COc1ccc(CN2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C22H25N3O3/c1-28-18-8-6-17(7-9-18)16-24-12-10-23(11-13-24)14-15-25-21(26)19-4-2-3-5-20(19)22(25)27/h2-9H,10-16H2,1H3
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n/an/a 466n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163323
PNG
(CHEMBL3794031)
Show SMILES COc1ccc(CN2CCN(C\C=C\CN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C24H27N3O3/c1-30-20-10-8-19(9-11-20)18-26-16-14-25(15-17-26)12-4-5-13-27-23(28)21-6-2-3-7-22(21)24(27)29/h2-11H,12-18H2,1H3/b5-4+
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n/an/a 489n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163333
PNG
(CHEMBL3794003)
Show SMILES COc1ccc(CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27N3O3/c1-29-19-9-7-18(8-10-19)17-25-15-13-24(14-16-25)11-4-12-26-22(27)20-5-2-3-6-21(20)23(26)28/h2-3,5-10H,4,11-17H2,1H3
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n/an/a 508n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163331
PNG
(CHEMBL3793526)
Show SMILES COc1ccc(CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C25H31N3O3/c1-31-21-11-9-20(10-12-21)19-27-17-15-26(16-18-27)13-5-2-6-14-28-24(29)22-7-3-4-8-23(22)25(28)30/h3-4,7-12H,2,5-6,13-19H2,1H3
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n/an/a 548n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163336
PNG
(CHEMBL3793315)
Show SMILES Clc1ccc(CN2CCN(CCCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C28H36ClN3O2/c29-24-14-12-23(13-15-24)22-31-20-18-30(19-21-31)16-8-4-2-1-3-5-9-17-32-27(33)25-10-6-7-11-26(25)28(32)34/h6-7,10-15H,1-5,8-9,16-22H2
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n/an/a 644n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163338
PNG
(CHEMBL3794015)
Show SMILES Clc1ccc(CN2CCN(CCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C26H32ClN3O2/c27-22-12-10-21(11-13-22)20-29-18-16-28(17-19-29)14-6-2-1-3-7-15-30-25(31)23-8-4-5-9-24(23)26(30)32/h4-5,8-13H,1-3,6-7,14-20H2
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n/an/a 655n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163327
PNG
(CHEMBL3793181)
Show SMILES COc1ccc(CN2CCN(CCCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C29H39N3O3/c1-35-25-15-13-24(14-16-25)23-31-21-19-30(20-22-31)17-9-5-3-2-4-6-10-18-32-28(33)26-11-7-8-12-27(26)29(32)34/h7-8,11-16H,2-6,9-10,17-23H2,1H3
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n/an/a 657n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163330
PNG
(CHEMBL3793574)
Show SMILES COc1ccc(CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-21(11-13-22)20-28-18-16-27(17-19-28)14-6-2-3-7-15-29-25(30)23-8-4-5-9-24(23)26(29)31/h4-5,8-13H,2-3,6-7,14-20H2,1H3
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n/an/a 687n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163328
PNG
(CHEMBL3792524)
Show SMILES COc1ccc(CN2CCN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C28H37N3O3/c1-34-24-14-12-23(13-15-24)22-30-20-18-29(19-21-30)16-8-4-2-3-5-9-17-31-27(32)25-10-6-7-11-26(25)28(31)33/h6-7,10-15H,2-5,8-9,16-22H2,1H3
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n/an/a 699n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163326
PNG
(CHEMBL3794394)
Show SMILES COc1ccc(CN2CCN(CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C30H41N3O3/c1-36-26-16-14-25(15-17-26)24-32-22-20-31(21-23-32)18-10-6-4-2-3-5-7-11-19-33-29(34)27-12-8-9-13-28(27)30(33)35/h8-9,12-17H,2-7,10-11,18-24H2,1H3
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n/an/a 712n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163340
PNG
(CHEMBL3793446)
Show SMILES Clc1ccc(CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C24H28ClN3O2/c25-20-10-8-19(9-11-20)18-27-16-14-26(15-17-27)12-4-1-5-13-28-23(29)21-6-2-3-7-22(21)24(28)30/h2-3,6-11H,1,4-5,12-18H2
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n/an/a 720n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163343
PNG
(CHEMBL3792998)
Show SMILES Clc1ccc(CN2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C21H22ClN3O2/c22-17-7-5-16(6-8-17)15-24-11-9-23(10-12-24)13-14-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-8H,9-15H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163335
PNG
(CHEMBL3792715)
Show SMILES Clc1ccc(CN2CCN(CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C29H38ClN3O2/c30-25-15-13-24(14-16-25)23-32-21-19-31(20-22-32)17-9-5-3-1-2-4-6-10-18-33-28(34)26-11-7-8-12-27(26)29(33)35/h7-8,11-16H,1-6,9-10,17-23H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163341
PNG
(CHEMBL3792841)
Show SMILES Clc1ccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H26ClN3O2/c24-19-9-7-18(8-10-19)17-26-15-13-25(14-16-26)11-3-4-12-27-22(28)20-5-1-2-6-21(20)23(27)29/h1-2,5-10H,3-4,11-17H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163342
PNG
(CHEMBL3794497)
Show SMILES Clc1ccc(CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C22H24ClN3O2/c23-18-8-6-17(7-9-18)16-25-14-12-24(13-15-25)10-3-11-26-21(27)19-4-1-2-5-20(19)22(26)28/h1-2,4-9H,3,10-16H2
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n/an/a 1.43E+3n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrop...


Bioorg Med Chem Lett 26: 2380-2 (2016)


Article DOI: 10.1016/j.bmcl.2015.07.052
BindingDB Entry DOI: 10.7270/Q29Z96TQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004689
PNG
(CHEMBL2230093)
Show SMILES CNC(=O)Oc1cccc(OCCCCOc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C18H20N2O6/c1-19-18(21)26-17-9-5-8-16(13-17)25-11-3-2-10-24-15-7-4-6-14(12-15)20(22)23/h4-9,12-13H,2-3,10-11H2,1H3,(H,19,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004691
PNG
(CHEMBL2230095)
Show SMILES CNC(=O)Oc1cccc(OCCCCOc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C18H20N2O6/c1-19-18(21)26-17-6-4-5-16(13-17)25-12-3-2-11-24-15-9-7-14(8-10-15)20(22)23/h4-10,13H,2-3,11-12H2,1H3,(H,19,21)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004690
PNG
(CHEMBL2230094)
Show SMILES CNC(=O)Oc1cccc(OCCCCOc2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C18H20N2O6/c1-19-18(21)26-15-8-6-7-14(13-15)24-11-4-5-12-25-17-10-3-2-9-16(17)20(22)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004692
PNG
(CHEMBL2230097)
Show SMILES CNC(=O)Oc1cccc(OCCCOc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H18N2O6/c1-18-17(20)25-16-5-2-4-15(12-16)24-11-3-10-23-14-8-6-13(7-9-14)19(21)22/h2,4-9,12H,3,10-11H2,1H3,(H,18,20)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004695
PNG
(CHEMBL2230101)
Show SMILES CNC(=O)Oc1cccc(OCCCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C18H18F3NO4/c1-22-17(23)26-16-5-2-4-15(12-16)25-11-3-10-24-14-8-6-13(7-9-14)18(19,20)21/h2,4-9,12H,3,10-11H2,1H3,(H,22,23)
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n/an/a 1.05E+5n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004693
PNG
(CHEMBL2230099)
Show SMILES CNC(=O)Oc1cccc(OCCCCOc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C19H20F3NO4/c1-23-18(24)27-17-6-4-5-16(13-17)26-12-3-2-11-25-15-9-7-14(8-10-15)19(20,21)22/h4-10,13H,2-3,11-12H2,1H3,(H,23,24)
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n/an/a 1.07E+5n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004687
PNG
(CHEBI:38537 | METOLCARB | m-Tolyl methylcarbamate)
Show SMILES CNC(=O)Oc1cccc(C)c1
Show InChI InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Musca domestica)
BDBM50004688
PNG
(PHENYL METHYLCARBAMATE | Phenyl Methylcarbamate)
Show SMILES CNC(=O)Oc1ccccc1
Show InChI InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
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n/an/a 7.66E+5n/an/an/an/an/an/a



Chinese Academy of Agricultural Sciences

Curated by ChEMBL


Assay Description
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain


J Agric Food Chem 58: 12817-21 (2010)


Article DOI: 10.1021/jf1032284
BindingDB Entry DOI: 10.7270/Q2571DHN
More data for this
Ligand-Target Pair