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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50004006'   
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


(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
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PC cid
PC sid
UniChem

Similars

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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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