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2 similar compounds to monomer 50003997

Compile data set for download or QSAR
Wt: 428.5
BDBM50004006
Wt: 366.4
BDBM50004017

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50004006,50004017   
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))
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.


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



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
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 46.0n/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


(Homo sapiens (Human))
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



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))
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
PDB
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Article
PubMed
n/an/a 590n/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