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Compile Data Set for Download or QSAR

Found 425 hits of ic50 data for polymerid = 1064   
Target
(Institution)
LigandTarget
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


(Mus musculus (mouse))
BDBM9410
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethyl-4-(phe...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H36N2O3S/c1-2-32(22-19-25-17-20-31(21-18-25)23-26-9-5-3-6-10-26)30(33)28-13-15-29(16-14-28)36(34,35)24-27-11-7-4-8-12-27/h3-16,25H,2,17-24H2,1H3
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Article
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n/an/a 0.300n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


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


(Mus musculus (mouse))
BDBM9410
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethyl-4-(phe...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H36N2O3S/c1-2-32(22-19-25-17-20-31(21-18-25)23-26-9-5-3-6-10-26)30(33)28-13-15-29(16-14-28)36(34,35)24-27-11-7-4-8-12-27/h3-16,25H,2,17-24H2,1H3
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n/an/a 0.301n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


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


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.560n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


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


(Mus musculus (mouse))
BDBM9411
PNG
(CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2
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n/an/a 0.600n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


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


(Mus musculus (mouse))
BDBM9411
PNG
(CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


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


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


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


(Mus musculus (mouse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004016
PNG
(CHEMBL138107 | CHEMBL544159 | N-(2-(2-(1-benzylpip...)
Show SMILES O=C(Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-9-5-2-6-10-23)30-24-11-12-25-26(19-24)29(35)32(28(25)34)18-15-21-13-16-31(17-14-21)20-22-7-3-1-4-8-22/h1-12,19,21H,13-18,20H2,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004016
PNG
(CHEMBL138107 | CHEMBL544159 | N-(2-(2-(1-benzylpip...)
Show SMILES O=C(Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-9-5-2-6-10-23)30-24-11-12-25-26(19-24)29(35)32(28(25)34)18-15-21-13-16-31(17-14-21)20-22-7-3-1-4-8-22/h1-12,19,21H,13-18,20H2,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029933
PNG
(2-[3-(1-Benzyl-piperidin-4-yl)-propyl]-5,6-dimetho...)
Show SMILES COc1cc2CC(CCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H33NO3/c1-29-24-16-22-15-21(26(28)23(22)17-25(24)30-2)10-6-9-19-11-13-27(14-12-19)18-20-7-4-3-5-8-20/h3-5,7-8,16-17,19,21H,6,9-15,18H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004007
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1,3-dioxo-2,...)
Show SMILES O=C(NCc1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C30H31N3O3/c34-28(31-20-23-7-3-1-4-8-23)25-11-12-26-27(19-25)30(36)33(29(26)35)18-15-22-13-16-32(17-14-22)21-24-9-5-2-6-10-24/h1-12,19,22H,13-18,20-21H2,(H,31,34)
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n/an/a 2.20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004001
PNG
(5-Benzoyl-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-is...)
Show SMILES O=C(c1ccccc1)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C29H28N2O3/c32-27(23-9-5-2-6-10-23)24-11-12-25-26(19-24)29(34)31(28(25)33)18-15-21-13-16-30(17-14-21)20-22-7-3-1-4-8-22/h1-12,19,21H,13-18,20H2
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n/an/a 2.40n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


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


(Mus musculus (mouse))
BDBM50004035
PNG
(CHEMBL433678 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES CC(=O)Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50373109
PNG
(CHEMBL406645)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE


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


(Mus musculus (mouse))
BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


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


(Mus musculus (mouse))
BDBM50004018
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)quinazoline-2,4...)
Show SMILES O=c1[nH]c2ccccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-12-17-10-13-24(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,23,27)
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n/an/a 4.20n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50003999
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-chloroquinaz...)
Show SMILES Clc1ccc2c(c1)[nH]c(=O)n(CCC1CCN(Cc3ccccc3)CC1)c2=O
Show InChI InChI=1S/C22H24ClN3O2/c23-18-6-7-19-20(14-18)24-22(28)26(21(19)27)13-10-16-8-11-25(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H,24,28)
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n/an/a 4.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50003996
PNG
(CHEMBL126354 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29N3O3/c31-27(24-11-13-26(14-12-24)30(32)33)29(25-9-5-2-6-10-25)20-17-22-15-18-28(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
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n/an/a 5.40n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


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


(Mus musculus (mouse))
BDBM50003996
PNG
(CHEMBL126354 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29N3O3/c31-27(24-11-13-26(14-12-24)30(32)33)29(25-9-5-2-6-10-25)20-17-22-15-18-28(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
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n/an/a 5.40n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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 5.70n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029913
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5-methoxy-indan-...)
Show SMILES COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1
Show InChI InChI=1S/C23H27NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 6.40n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004011
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methoxyisoin...)
Show SMILES COc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C23H26N2O3/c1-28-19-7-8-20-21(15-19)23(27)25(22(20)26)14-11-17-9-12-24(13-10-17)16-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50003998
PNG
(5-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...)
Show SMILES Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H25N3O2/c23-18-6-7-19-20(14-18)22(27)25(21(19)26)13-10-16-8-11-24(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15,23H2
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n/an/a 8.80n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029946
PNG
(2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...)
Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H35NO3/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/h14-15,17-18,20H,3-13,16H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


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


(Mus musculus (mouse))
BDBM50029946
PNG
(2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...)
Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H35NO3/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/h14-15,17-18,20H,3-13,16H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004009
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-4-nitroisoindo...)
Show SMILES [O-][N+](=O)c1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H23N3O4/c26-21-18-7-4-8-19(25(28)29)20(18)22(27)24(21)14-11-16-9-12-23(13-10-16)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2
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n/an/a 9n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50373108
PNG
(CHEMBL259523)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE


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


(Mus musculus (mouse))
BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


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


(Mus musculus (mouse))
BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004015
PNG
(4-Amino-2-[2-(1-benzyl-piperidin-4-yl)-ethyl]-isoi...)
Show SMILES Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H25N3O2/c23-19-8-4-7-18-20(19)22(27)25(21(18)26)14-11-16-9-12-24(13-10-16)15-17-5-2-1-3-6-17/h1-8,16H,9-15,23H2
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n/an/a 11n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029925
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-4-methoxy-indan-...)
Show SMILES COc1cccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C23H27NO2/c1-26-22-9-5-8-20-21(22)15-19(23(20)25)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004040
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-5-nitroisoindo...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H23N3O4/c26-21-19-7-6-18(25(28)29)14-20(19)22(27)24(21)13-10-16-8-11-23(12-9-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2
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n/an/a 12.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of acetylcholine from AChE in Swiss Webster mouse brain after 5 mins


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


(Mus musculus (mouse))
BDBM50004013
PNG
(6-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-pyrrolo[3,4...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ncccc12
Show InChI InChI=1S/C21H23N3O2/c25-20-18-7-4-11-22-19(18)21(26)24(20)14-10-16-8-12-23(13-9-16)15-17-5-2-1-3-6-17/h1-7,11,16H,8-10,12-15H2
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n/an/a 13n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase activity in mouse brain homogenate


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


(Mus musculus (mouse))
BDBM50029915
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5,6,7-trimethoxy...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c(OC)c1OC
Show InChI InChI=1S/C25H31NO4/c1-28-21-15-19-14-20(23(27)22(19)25(30-3)24(21)29-2)13-17-9-11-26(12-10-17)16-18-7-5-4-6-8-18/h4-8,15,17,20H,9-14,16H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029927
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(Z)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C\C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12-
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n/an/a 13n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004033
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroqui...)
Show SMILES O=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3O/c26-22-23-21-9-5-4-8-20(21)17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,23,26)
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n/an/a 13n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029939
PNG
(2-[5-(1-Benzyl-piperidin-4-yl)-pentyl]-5,6-dimetho...)
Show SMILES COc1cc2CC(CCCCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H37NO3/c1-31-26-18-24-17-23(28(30)25(24)19-27(26)32-2)12-8-4-5-9-21-13-15-29(16-14-21)20-22-10-6-3-7-11-22/h3,6-7,10-11,18-19,21,23H,4-5,8-9,12-17,20H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004026
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,2-dihydroiso...)
Show SMILES O=C1Cc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O/c26-23-16-21-8-4-5-9-22(21)18-25(23)15-12-19-10-13-24(14-11-19)17-20-6-2-1-3-7-20/h1-9,19H,10-18H2
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n/an/a 17n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004037
PNG
(CHEMBL140737 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES Fc1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H29FN2O/c28-25-13-11-24(12-14-25)27(31)30(26-9-5-2-6-10-26)20-17-22-15-18-29(19-16-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2
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n/an/a 18n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029936
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-4,5-dimethoxy-in...)
Show SMILES COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-9-8-20-21(24(22)28-2)15-19(23(20)26)14-17-10-12-25(13-11-17)16-18-6-4-3-5-7-18/h3-9,17,19H,10-16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004012
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline-1,...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c26-22-16-20-8-4-5-9-21(20)23(27)25(22)15-12-18-10-13-24(14-11-18)17-19-6-2-1-3-7-19/h1-9,18H,10-17H2
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n/an/a 23n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50373118
PNG
(CHEMBL406885)
Show SMILES CC[C@]1(CCCCN(CCCCCCCCCCCN2CCCC[C@](CC)(C2)c2cccc(O)c2)C1)c1cccc(O)c1
Show InChI InChI=1S/C39H62N2O2/c1-3-38(34-20-18-22-36(42)30-34)24-12-16-28-40(32-38)26-14-10-8-6-5-7-9-11-15-27-41-29-17-13-25-39(4-2,33-41)35-21-19-23-37(43)31-35/h18-23,30-31,42-43H,3-17,24-29,32-33H2,1-2H3/t38-,39-/m1/s1
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain AChE


Citation and Details
More data for this
Ligand-Target Pair
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