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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholinesterases' and Ligand = 'BDBM50318740'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50318740
PNG
((E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]iso...)
Show SMILES C(N1CCC(CC1)\C=C\c1noc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-11,17H,12-16H2/b11-10+
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n/an/a 209n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro (UFRJ)

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase


Eur J Med Chem 46: 39-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.009
BindingDB Entry DOI: 10.7270/Q2SX6FG0
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318740
PNG
((E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]iso...)
Show SMILES C(N1CCC(CC1)\C=C\c1noc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-11,17H,12-16H2/b11-10+
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Article
PubMed
n/an/a 210n/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
Cholinesterases


(Homo sapiens (Human))
BDBM50318740
PNG
((E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]iso...)
Show SMILES C(N1CCC(CC1)\C=C\c1noc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-2-6-18(7-3-1)16-23-14-12-17(13-15-23)10-11-20-19-8-4-5-9-21(19)24-22-20/h1-11,17H,12-16H2/b11-10+
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 210n/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