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19 similar compounds to monomer 50004040

Compile data set for download or QSAR
Wt: 363.4
BDBM50003998
Wt: 393.4
BDBM50004009
Wt: 379.4
BDBM50004010
Wt: 317.3
BDBM50004023
Wt: 365.3
BDBM50004031
Wt: 427.8
BDBM50004041
Wt: 423.4
BDBM50004042
Wt: 425.4
BDBM50037139
Wt: 409.4
BDBM50037142
Wt: 409.4
BDBM50037153
Wt: 395.4
BDBM50037160
Wt: 401.4
BDBM50037161
Wt: 381.4
BDBM50037162
Wt: 381.4
BDBM50037170
Wt: 425.4
BDBM50037181
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50003998,50004009,50004010,50004023,50004031,50004041,50004042,50037139,50037142,50037153,50037160,50037161,50037162,50037170,50037181   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Mus musculus (mouse))
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)


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



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
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.


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))
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.


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))
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.


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))
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.


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))
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.


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


(Rattus norvegicus (rat))
BDBM50037139
PNG
(2-{5-[Ethyl-(3-methoxy-benzyl)-amino]-pentyl}-5-ni...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O5/c1-3-24(16-17-8-7-9-19(14-17)31-2)12-5-4-6-13-25-22(27)20-11-10-18(26(29)30)15-21(20)23(25)28/h7-11,14-15H,3-6,12-13,16H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037142
PNG
(2-[5-(Ethyl-phenethyl-amino)-pentyl]-5-nitro-isoin...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N3O4/c1-2-24(16-13-18-9-5-3-6-10-18)14-7-4-8-15-25-22(27)20-12-11-19(26(29)30)17-21(20)23(25)28/h3,5-6,9-12,17H,2,4,7-8,13-16H2,1H3
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n/an/a 770n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037153
PNG
(2-[5-(Benzyl-propyl-amino)-pentyl]-5-nitro-isoindo...)
Show SMILES CCCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C23H27N3O4/c1-2-13-24(17-18-9-5-3-6-10-18)14-7-4-8-15-25-22(27)20-12-11-19(26(29)30)16-21(20)23(25)28/h3,5-6,9-12,16H,2,4,7-8,13-15,17H2,1H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037160
PNG
(2-[6-(Benzyl-methyl-amino)-hexyl]-5-nitro-isoindol...)
Show SMILES CN(CCCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-23(16-17-9-5-4-6-10-17)13-7-2-3-8-14-24-21(26)19-12-11-18(25(28)29)15-20(19)22(24)27/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3
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n/an/a 474n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037161
PNG
(2-[5-(Cyclohexylmethyl-ethyl-amino)-pentyl]-5-nitr...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)CC1CCCCC1
Show InChI InChI=1S/C22H31N3O4/c1-2-23(16-17-9-5-3-6-10-17)13-7-4-8-14-24-21(26)19-12-11-18(25(28)29)15-20(19)22(24)27/h11-12,15,17H,2-10,13-14,16H2,1H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037162
PNG
(2-[5-(Benzyl-methyl-amino)-pentyl]-5-nitro-isoindo...)
Show SMILES CN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C21H23N3O4/c1-22(15-16-8-4-2-5-9-16)12-6-3-7-13-23-20(25)18-11-10-17(24(27)28)14-19(18)21(23)26/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3
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n/an/a 1.36E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
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



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037170
PNG
(2-[4-(Benzyl-ethyl-amino)-butyl]-5-nitro-isoindole...)
Show SMILES CCN(CCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C21H23N3O4/c1-2-22(15-16-8-4-3-5-9-16)12-6-7-13-23-20(25)18-11-10-17(24(27)28)14-19(18)21(23)26/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
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n/an/a 252n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
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



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037181
PNG
(2-{5-[Ethyl-(4-methoxy-benzyl)-amino]-pentyl}-5-ni...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O5/c1-3-24(16-17-7-10-19(31-2)11-8-17)13-5-4-6-14-25-22(27)20-12-9-18(26(29)30)15-21(20)23(25)28/h7-12,15H,3-6,13-14,16H2,1-2H3
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n/an/a 269n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
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



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
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)


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