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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'sugumi' and Initial = 'h'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(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 0.300n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
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



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		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 |r|
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 8.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against butyrylcholinesterase (BuChE) obtained from rat plasma

J Med Chem 35: 4542-8 (1993)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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 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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9397
PNG
(CHEMBL59583 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O3S/c31-28(26-11-13-27(14-12-26)34(32,33)22-25-9-5-2-6-10-25)29-18-15-23-16-19-30(20-17-23)21-24-7-3-1-4-8-24/h1-14,23H,15-22H2,(H,29,31)
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n/an/a 29n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9400
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1
Show InChI InChI=1S/C20H25N3O/c24-20(19-7-11-21-12-8-19)22-13-6-17-9-14-23(15-10-17)16-18-4-2-1-3-5-18/h1-5,7-8,11-12,17H,6,9-10,13-16H2,(H,22,24)
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n/an/a 39n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004017
PNG
(CHEMBL127527 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES COc1cccc(c1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C23H30N2O2/c1-19(26)25(22-9-6-10-23(17-22)27-2)16-13-20-11-14-24(15-12-20)18-21-7-4-3-5-8-21/h3-10,17,20H,11-16,18H2,1-2H3
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9396
PNG
(CHEMBL56001 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES CC(=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-18(26)21-7-9-22(10-8-21)23(27)24-14-11-19-12-15-25(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)
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n/an/a 51n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004027
PNG
(CHEMBL340672 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-19(25)24(22-10-6-3-7-11-22)17-14-20-12-15-23(16-13-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3
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n/an/a 52n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9391
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-nitrobenzami...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25N3O3/c25-21(19-6-8-20(9-7-19)24(26)27)22-13-10-17-11-14-23(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,22,25)
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n/an/a 55n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004036
PNG
(CHEMBL340621 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C26H29N3O/c30-26(24-11-16-27-17-12-24)29(25-9-5-2-6-10-25)20-15-22-13-18-28(19-14-22)21-23-7-3-1-4-8-23/h1-12,16-17,22H,13-15,18-21H2
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n/an/a 64n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004028
PNG
(CHEMBL141167 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C22H27FN2O/c1-18(26)25(22-9-5-8-21(23)16-22)15-12-19-10-13-24(14-11-19)17-20-6-3-2-4-7-20/h2-9,16,19H,10-15,17H2,1H3
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n/an/a 65n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9399
PNG
(CHEMBL299313 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1
Show InChI InChI=1S/C20H25N3O/c24-20(19-7-4-11-21-15-19)22-12-8-17-9-13-23(14-10-17)16-18-5-2-1-3-6-18/h1-7,11,15,17H,8-10,12-14,16H2,(H,22,24)
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n/an/a 69n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		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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n/an/a 73n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Butyrylcholinesterase obtained from rat plasma

J Med Chem 35: 4542-8 (1993)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		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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n/an/a 81n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9395
PNG
(CHEMBL56706 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)21(25)23-13-10-17-11-14-24(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,23,25)
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n/an/a 85n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9392
PNG
(CHEMBL54835 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES COc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)22(25)23-14-11-18-12-15-24(16-13-18)17-19-5-3-2-4-6-19/h2-10,18H,11-17H2,1H3,(H,23,25)
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n/an/a 88n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004022
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2
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n/an/a 98n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004030
PNG
(CHEMBL141352 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccncc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)24(21-7-12-22-13-8-21)16-11-19-9-14-23(15-10-19)17-20-5-3-2-4-6-20/h2-8,12-13,19H,9-11,14-17H2,1H3
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n/an/a 108n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9393
PNG
(CHEMBL56586 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26)
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n/an/a 120n/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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9406
PNG
(CHEMBL57696 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-2-25(23(26)22-11-7-4-8-12-22)18-15-20-13-16-24(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3
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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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9413
PNG
(CHEMBL127750 | N-methyl-N-(2-{1-[(3-methylphenyl)m...)
Show SMILES CN(CCC1CCN(Cc2cccc(C)c2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19-7-6-8-21(17-19)18-25-15-12-20(13-16-25)11-14-24(2)23(26)22-9-4-3-5-10-22/h3-10,17,20H,11-16,18H2,1-2H3
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n/an/a 145n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9401
PNG
(4-{[2-(1-benzylpiperidin-4-yl)ethyl]carbamoyl}-1-o...)
Show SMILES [O-][n+]1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c24-20(19-9-14-23(25)15-10-19)21-11-6-17-7-12-22(13-8-17)16-18-4-2-1-3-5-18/h1-5,9-10,14-15,17H,6-8,11-13,16H2,(H,21,24)
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n/an/a 155n/an/an/an/an/an/a



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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9405
PNG
(CHEMBL56470 | N-[2-(1-Benzyl-piperidin-4-yl)-ethyl...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
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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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9405
PNG
(CHEMBL56470 | N-[2-(1-Benzyl-piperidin-4-yl)-ethyl...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
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n/an/a 170n/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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9388
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzam...)
Show SMILES Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
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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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM9394
PNG
(CHEMBL55253 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES Clc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25ClN2O/c22-20-8-6-19(7-9-20)21(25)23-13-10-17-11-14-24(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H,23,25)
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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...

J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50004002
PNG
(CHEMBL340609 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN2O/c1-18(26)25(22-9-7-21(23)8-10-22)16-13-19-11-14-24(15-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
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