BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50248714'   
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))
BDBM50248714
PNG
((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
237n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to acetylcholinesterase (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0227-3
BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50248714
PNG
((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex after 15 mins by modified Ellman method


Eur J Med Chem 44: 7-17 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.003
BindingDB Entry DOI: 10.7270/Q29W0F8B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50248714
PNG
((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 444n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

Article DOI: 10.1007/s00044-012-0227-3
BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair