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PubMed code 1469686

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(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.


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 0.690n/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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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.


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.


Citation and Details
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.


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.


Citation and Details
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.


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


(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
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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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


(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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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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n/an/a 205n/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.


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


(Mus musculus (mouse))
BDBM50004041
PNG
(2-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethyl)-5-ni...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCC3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2
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n/an/a 240n/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.


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


(Mus musculus (mouse))
BDBM50004014
PNG
(1-(2-(1-benzylpiperidin-4-yl)ethyl)piperidin-2-one...)
Show SMILES O=C1CCCCN1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2O/c22-19-8-4-5-12-21(19)15-11-17-9-13-20(14-10-17)16-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2
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n/an/a 270n/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.


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


(Mus musculus (mouse))
BDBM50004034
PNG
(CHEMBL141622 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
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n/an/a 340n/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.


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


(Mus musculus (mouse))
BDBM50004042
PNG
(2-(2-(1-(4-methoxybenzyl)piperidin-4-yl)ethyl)-5-n...)
Show SMILES COc1ccc(CN2CCC(CCN3C(=O)c4ccc(cc4C3=O)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C23H25N3O5/c1-31-19-5-2-17(3-6-19)15-24-11-8-16(9-12-24)10-13-25-22(27)20-7-4-18(26(29)30)14-21(20)23(25)28/h2-7,14,16H,8-13,15H2,1H3
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n/an/a 440n/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.


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


(Mus musculus (mouse))
BDBM9385
PNG
(1-Benzyl-4-[2-(N-benzoylamino)ethyl]piperidine Hyd...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H,22,24)
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n/an/a 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.


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


(Mus musculus (mouse))
BDBM50004006
PNG
(CHEMBL141873 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES COc1ccc(cc1)C(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c1-32-27-14-12-25(13-15-27)28(31)30(26-10-6-3-7-11-26)21-18-23-16-19-29(20-17-23)22-24-8-4-2-5-9-24/h2-15,23H,16-22H2,1H3
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n/an/a 590n/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.


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


(Mus musculus (mouse))
BDBM50004021
PNG
(CHEMBL125578 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C17H26N2O/c1-15(20)18(2)11-8-16-9-12-19(13-10-16)14-17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
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n/an/a 660n/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.


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


(Mus musculus (mouse))
BDBM50003997
PNG
(CHEMBL141801 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES COc1ccc(cc1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C23H30N2O2/c1-19(26)25(22-8-10-23(27-2)11-9-22)17-14-20-12-15-24(16-13-20)18-21-6-4-3-5-7-21/h3-11,20H,12-18H2,1-2H3
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n/an/a 700n/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.


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


(Mus musculus (mouse))
BDBM50004008
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-2,3-dihydroqui...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)CNc2ccccc12
Show InChI InChI=1S/C22H27N3O/c26-22-20-8-4-5-9-21(20)23-17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,18,23H,10-17H2
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n/an/a 800n/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.


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


(Mus musculus (mouse))
BDBM50004005
PNG
(CHEMBL141853 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-2-23(26)25(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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n/an/a 830n/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.


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


(Mus musculus (mouse))
BDBM50004003
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroiso...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C23H28N2O/c26-23-22-9-5-4-8-21(22)13-17-25(23)16-12-19-10-14-24(15-11-19)18-20-6-2-1-3-7-20/h1-9,19H,10-18H2
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n/an/a 1.00E+3n/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.


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


(Mus musculus (mouse))
BDBM50004038
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinolin-1(2...)
Show SMILES O=c1n(CCC2CCN(Cc3ccccc3)CC2)ccc2ccccc12
Show InChI InChI=1S/C23H26N2O/c26-23-22-9-5-4-8-21(22)13-17-25(23)16-12-19-10-14-24(15-11-19)18-20-6-2-1-3-7-20/h1-9,13,17,19H,10-12,14-16,18H2
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n/an/a 1.10E+3n/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.


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


(Mus musculus (mouse))
BDBM50004032
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)quinazolin-4(3H...)
Show SMILES O=c1n(CCC2CCN(Cc3ccccc3)CC2)cnc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-22-20-8-4-5-9-21(20)23-17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,17-18H,10-16H2
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n/an/a 1.20E+3n/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.


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


(Mus musculus (mouse))
BDBM50004029
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,2,3,4-tetrah...)
Show SMILES C(CN1CCc2ccccc2C1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N2/c1-2-6-21(7-3-1)18-24-14-10-20(11-15-24)12-16-25-17-13-22-8-4-5-9-23(22)19-25/h1-9,20H,10-19H2
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n/an/a 1.60E+3n/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.


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


(Mus musculus (mouse))
BDBM50004010
PNG
(2-((1-benzylpiperidin-4-yl)methyl)-5-nitroisoindol...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C21H21N3O4/c25-20-18-7-6-17(24(27)28)12-19(18)21(26)23(20)14-16-8-10-22(11-9-16)13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2
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n/an/a 3.00E+3n/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.


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


(Mus musculus (mouse))
BDBM50004023
PNG
(2-(2-(1-methylpiperidin-4-yl)ethyl)-5-nitroisoindo...)
Show SMILES CN1CCC(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)CC1
Show InChI InChI=1S/C16H19N3O4/c1-17-7-4-11(5-8-17)6-9-18-15(20)13-3-2-12(19(22)23)10-14(13)16(18)21/h2-3,10-11H,4-9H2,1H3
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n/an/a 6.80E+3n/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.


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


(Mus musculus (mouse))
BDBM50004019
PNG
(CHEMBL140769 | Cyclohexanecarboxylic acid [2-(1-be...)
Show SMILES O=C(C1CCCCC1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H36N2O/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/h1,3-5,8-11,14-15,23,25H,2,6-7,12-13,16-22H2
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n/an/a 9.40E+3n/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.


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


(Rattus norvegicus (rat))
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 1.01E+4n/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


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


(Mus musculus (mouse))
BDBM50004024
PNG
(CHEMBL140936 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H30N2/c1-2-24(22-11-7-4-8-12-22)18-15-20-13-16-23(17-14-20)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3
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n/an/a 1.20E+4n/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.


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


(Mus musculus (mouse))
BDBM50004031
PNG
(2-(1-Benzyl-piperidin-4-yl)-5-nitro-isoindole-1,3-...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(C3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O4/c24-19-17-7-6-16(23(26)27)12-18(17)20(25)22(19)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2
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n/an/a 2.70E+4n/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.


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


(Rattus norvegicus (rat))
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 4.23E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%