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BDBM9393 CHEMBL56586::N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide hydrochloride::Piperidine Derivative 3i

SMILES: O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=RFIGHRHRDRSKGU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 9393   
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))
BDBM9393
PNG
(CHEMBL56586 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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))
BDBM9393
PNG
(CHEMBL56586 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O2/c25-17-20-6-8-21(9-7-20)22(26)23-13-10-18-11-14-24(15-12-18)16-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair