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Found 11746 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase (AChE)'   
Target
(Institution)
LigandTarget
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))
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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PubMed
n/an/a 0.00000546n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86769
PNG
(Nicotinamide hydrochloride analog, 6b)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H30N6O/c25-30-22-13-12-17(16-28-22)24(31)27-15-7-1-6-14-26-23-18-8-2-4-10-20(18)29-21-11-5-3-9-19(21)23/h2,4,8,10,12-13,16H,1,3,5-7,9,11,14-15,25H2,(H,26,29)(H,27,31)(H,28,30)
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n/an/a 0.000308n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86771
PNG
(Nicotinamide hydrochloride analog, 6d)
Show SMILES NNc1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
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n/an/a 0.000370n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86768
PNG
(Nicotinamide hydrochloride analog, 6a)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N6O/c24-29-21-12-11-16(15-27-21)23(30)26-14-6-5-13-25-22-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)22/h1,3,7,9,11-12,15H,2,4-6,8,10,13-14,24H2,(H,25,28)(H,26,30)(H,27,29)
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n/an/a 0.000440n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM86770
PNG
(Nicotinamide hydrochloride analog, 6c)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H34N6O/c27-32-24-15-14-19(18-30-24)26(33)29-17-9-3-1-2-8-16-28-25-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13,16-17,27H2,(H,28,31)(H,29,33)(H,30,32)
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n/an/a 0.000721n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50049862
PNG
(CHEMBL3322232)
Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)
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n/an/a 0.00600n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 0.00800n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50318731
PNG
(3-(1H-indol-3-yl)-N-(6-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(18-17-22-21-33-26-14-6-3-11-23(22)26)31-19-9-1-2-10-20-32-30-24-12-4-7-15-27(24)34-28-16-8-5-13-25(28)30/h3-4,6-7,11-12,14-15,21,33H,1-2,5,8-10,13,16-20H2,(H,31,35)(H,32,34)
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n/an/a 0.0200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.0200n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304324
PNG
((1R,9R)-1-{[1-(3,5-Dimethoxy-phenyl)-methylidene]-...)
Show SMILES COc1cc(OC)cc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-20-17-8-15(2)13-24(20,21-6-7-23(27)26-22(21)11-17)25-14-16-9-18(28-3)12-19(10-16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b20-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.0245n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation


J Med Chem 43: 4657-66 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304322
PNG
((1R,9R)-13-Eth-(E)-ylidene-1-{[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)cc1
Show InChI InChI=1S/C23H24N2O2/c1-4-19-17-11-15(2)13-23(19,20-9-10-22(26)25-21(20)12-17)24-14-16-5-7-18(27-3)8-6-16/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/b19-4+,24-14+/t17-,23+/m0/s1
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n/an/a 0.0246n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50380559
PNG
(CHEMBL2019048)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41)
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n/an/a 0.0400n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9017
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)
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n/an/a 0.0400n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304326
PNG
(4-{[13-Ethylidene-11-methyl-5-oxo-6-aza-tricyclo[7...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N3O/c1-3-19-18-10-15(2)12-23(19,20-8-9-22(27)26-21(20)11-18)25-14-17-6-4-16(13-24)5-7-17/h3-10,14,18H,11-12H2,1-2H3,(H,26,27)/b19-3+,25-14+/t18-,23+/m0/s1
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n/an/a 0.0412n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 0.0430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304325
PNG
(1-{[1-(2,4-Dimethoxy-phenyl)-methylidene]-amino}-1...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c(OC)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-19-17-10-15(2)13-24(19,20-8-9-23(27)26-21(20)11-17)25-14-16-6-7-18(28-3)12-22(16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b19-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0446n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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US Patent
n/an/a 0.0600n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50318732
PNG
(3-(1H-indol-3-yl)-N-(7-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H38N4O/c36-30(19-18-23-22-34-27-15-7-4-12-24(23)27)32-20-10-2-1-3-11-21-33-31-25-13-5-8-16-28(25)35-29-17-9-6-14-26(29)31/h4-5,7-8,12-13,15-16,22,34H,1-3,6,9-11,14,17-21H2,(H,32,36)(H,33,35)
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n/an/a 0.0600n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 0.0600n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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n/an/a 0.0674n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation


J Med Chem 43: 4657-66 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50380558
PNG
(CHEMBL2019049)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H38ClN3O5/c34-21-13-14-24-26(17-21)37-25-12-8-7-11-23(25)32(24)35-15-9-5-3-1-2-4-6-10-16-36-33(41)30-20-28(40)31-27(39)18-22(38)19-29(31)42-30/h13-14,17-20,38-39H,1-12,15-16H2,(H,35,37)(H,36,41)
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n/an/a 0.0700n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9054
PNG
(6-chloro-N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
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n/an/a 0.0700n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9054
PNG
(6-chloro-N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
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n/an/a 0.0700n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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US Patent
n/an/a 0.0800n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...


US Patent US9238626 (2016)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50271142
PNG
(6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50380547
PNG
(CHEMBL2019053)
Show SMILES Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H38ClN3O5/c34-21-13-14-23-26(17-21)37-25-12-8-7-11-22(25)32(23)35-15-9-5-3-1-2-4-6-10-16-36-33(41)31-19-27(38)24-18-28(39)29(40)20-30(24)42-31/h13-14,17-20,39-40H,1-12,15-16H2,(H,35,37)(H,36,41)
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n/an/a 0.0900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.100n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50380552
PNG
(CHEMBL2019035)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50402577
PNG
(CHEMBL2206129)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-6-8-23-18(13-19)14-20(24(29)30-23)22(28)7-5-16-9-11-27(12-10-16)15-17-3-1-2-4-21(17)26/h1-14H,15H2/q+1/b7-5+
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n/an/a 0.110n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Citation and Details
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 0.120n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50262988
PNG
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)
Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
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n/an/a 0.120n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304330
PNG
((1R,9R)-1-[3-(4-Dimethylamino-phenyl)-prop-2-enyli...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H29N3O/c1-5-22-20-15-18(2)17-26(22,23-12-13-25(30)28-24(23)16-20)27-14-6-7-19-8-10-21(11-9-19)29(3)4/h5-15,20H,16-17H2,1-4H3,(H,28,30)/b7-6+,22-5+,27-14+/t20-,26+/m0/s1
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n/an/a 0.121n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 0.160n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50262879
PNG
(3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phen...)
Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1
Show InChI InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3/p+2
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n/an/a 0.170n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 0.170n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50380550
PNG
(CHEMBL2019041)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-31-20-26-29(40)21-33(44-30(26)22-32(31)43-2)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-24-13-9-10-14-27(24)39-28-19-23(36)15-16-25(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
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n/an/a 0.200n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 0.200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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PubMed
n/an/a 0.200n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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PubMed
n/an/a 0.200n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50355819
PNG
(CHEMBL1912059)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCC[C@@H]3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)/t18-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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PubMed
n/an/a 0.230n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation


J Med Chem 43: 4657-66 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50362877
PNG
(CHEMBL1940738)
Show SMILES COc1cc2oc(=O)c(OCCCCOc3cc(O)cc(c3)N(C)C)c(C)c2cc1OC
Show InChI InChI=1S/C24H29NO7/c1-15-19-13-21(28-4)22(29-5)14-20(19)32-24(27)23(15)31-9-7-6-8-30-18-11-16(25(2)3)10-17(26)12-18/h10-14,26H,6-9H2,1-5H3
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Article
PubMed
n/an/a 0.236n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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PubMed
n/an/a 0.25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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Article
PubMed
155 -40.4 0.253n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.253n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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PubMed
n/an/a 0.253n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay


Citation and Details
More data for this
Ligand-Target Pair
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