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1 similar compounds to monomer 50004017

Compile data set for download or QSAR
Wt: 366.4
BDBM50003997

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50003997   
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


(Homo sapiens (Human))
BDBM50003997
PNG
(CHEMBL141801 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES COc1ccc(cc1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C23H30N2O2/c1-19(26)25(22-8-10-23(27-2)11-9-22)17-14-20-12-15-24(16-13-20)18-21-6-4-3-5-7-21/h3-11,20H,12-18H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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))
BDBM50003997
PNG
(CHEMBL141801 | N-(2-(1-benzylpiperidin-4-yl)ethyl)...)
Show SMILES COc1ccc(cc1)N(CCC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C23H30N2O2/c1-19(26)25(22-8-10-23(27-2)11-9-22)17-14-20-12-15-24(16-13-20)18-21-6-4-3-5-7-21/h3-11,20H,12-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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