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BDBM9388 N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzamide::Piperidine Derivative 3d

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

InChI Key: InChIKey=FQWOVOUOBXKDGW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 9388   
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))
BDBM9388
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzam...)
Show SMILES Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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))
BDBM9388
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzam...)
Show SMILES Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)22(25)23-14-11-19-12-15-24(16-13-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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