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6 similar compounds to monomer 50004009

Compile data set for download or QSAR
Wt: 379.4
BDBM50004010
Wt: 317.3
BDBM50004023
Wt: 393.4
BDBM50004040
Wt: 409.4
BDBM50037153
Wt: 381.4
BDBM50037162
Wt: 395.4
BDBM50037184

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50004010,50004023,50004040,50037153,50037162,50037184   
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))
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))
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)


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


(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


(Rattus norvegicus (rat))
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



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))
BDBM50037184
PNG
(2-[5-(Benzyl-ethyl-amino)-pentyl]-5-nitro-isoindol...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O4/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/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3
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n/an/a 1.51E+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


(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))
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



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


(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