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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'iimura' and Initial = 'y'   
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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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18n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029941
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029941
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](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/t20-/m0/s1
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38n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029941
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029912
PNG
(2-(1-Benzyl-piperidin-4-yl)-5,6-dimethoxy-indan-1-...)
Show SMILES COc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)17-8-10-24(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12,15H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029912
PNG
(2-(1-Benzyl-piperidin-4-yl)-5,6-dimethoxy-indan-1-...)
Show SMILES COc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)17-8-10-24(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12,15H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50029912
PNG
(2-(1-Benzyl-piperidin-4-yl)-5,6-dimethoxy-indan-1-...)
Show SMILES COc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)17-8-10-24(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12,15H2,1-2H3
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122n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
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 0.300n/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: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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 0.430n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
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: 10.1124/jpet.103.059675
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 0.600n/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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
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: 10.1124/jpet.103.059675
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
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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 0.680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was determined in vitro and ex vivo for anti-AChE activity in rat brain


Bioorg Med Chem Lett 2: 871-876 (1992)


Article DOI: 10.1016/S0960-894X(00)80547-8
BindingDB Entry DOI: 10.7270/Q21R6QDV
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008574
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-propylidene]-indan-...)
Show SMILES CN1CCC(CCC=C2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C18H23NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-3,6-8,14H,4-5,9-13H2,1H3
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n/an/a 0.820n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008578
PNG
(2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,...)
Show SMILES CN1CCC(CCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H20N2O2/c1-17-9-6-12(7-10-17)8-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008564
PNG
(1-Fluoro-3-methyl-benzene | CHEMBL345698)
Show SMILES Cc1cccc(F)c1
Show InChI InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
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n/an/a 1n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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)


Article DOI: 10.1021/jm00102a005
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 Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008561
PNG
(6-Hydroxy-5-methoxy-2-methyl-indan-1-one | CHEMBL3...)
Show SMILES COc1cc2CC(C)C(=O)c2cc1O
Show InChI InChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008576
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-propyl]-indan-1-one...)
Show SMILES CN1CCC(CCCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C18H25NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008543
PNG
(1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...)
Show SMILES Cc1ccc(O)cc1
Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
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n/an/a 1.80n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
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)


Article DOI: 10.1021/jm00102a005
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
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


Bioorg Med Chem Lett 2: 871-876 (1992)


Article DOI: 10.1016/S0960-894X(00)80547-8
BindingDB Entry DOI: 10.7270/Q21R6QDV
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008584
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-allylidene]-indan-1...)
Show SMILES CN1CCC(CC1)\C=C\C=C1/Cc2ccccc2C1=O
Show InChI InChI=1S/C18H21NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-8,14H,9-13H2,1H3/b5-4+,16-7+
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n/an/a 3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
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


Bioorg Med Chem Lett 2: 871-876 (1992)


Article DOI: 10.1016/S0960-894X(00)80547-8
BindingDB Entry DOI: 10.7270/Q21R6QDV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008563
PNG
(3-nitrotoluene | CHEMBL114059)
Show SMILES Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
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n/an/a 4n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008568
PNG
(3-[2-(1-Methyl-piperidin-4-yl)-ethyl]-1H-quinoline...)
Show SMILES CN1CCC(CCc2c(O)c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C17H22N2O2/c1-19-10-8-12(9-11-19)6-7-14-16(20)13-4-2-3-5-15(13)18-17(14)21/h2-5,12H,6-11H2,1H3,(H2,18,20,21)
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n/an/a 4.20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
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)


Article DOI: 10.1021/jm00102a005
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008558
PNG
(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
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n/an/a 5.20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50008565
PNG
(5,6-Dimethoxy-2-methyl-indan-1-one | CHEMBL154848)
Show SMILES COc1cc2CC(C)C(=O)c2cc1OC
Show InChI InChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
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n/an/a 5.20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008579
PNG
(1-Benzyl-4-methyl-piperidine | CHEMBL158232)
Show SMILES CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C13H19N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008582
PNG
(2-(1-Methyl-piperidin-4-ylmethyl)-indan-1-one | CH...)
Show SMILES CN1CCC(C[C@@H]2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H21NO/c1-17-8-6-12(7-9-17)10-14-11-13-4-2-3-5-15(13)16(14)18/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


J Med Chem 35: 590-601 (1992)


Article DOI: 10.1021/jm00081a023
BindingDB Entry DOI: 10.7270/Q2VQ31NP
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
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 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
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)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
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