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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436826'   
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


(Electrophorus electricus (Electric eel))
BDBM50436826
PNG
(CHEMBL3038145)
Show SMILES COc1ccccc1\C=C1/CN(C)C[C@]2([C@H]([C@@H]3CCCCN3[C@@]22C(=O)c3cccc4cccc2c34)c2ccccc2OC)C1=O |r|
Show InChI InChI=1S/C39H38N2O4/c1-40-23-27(22-26-12-4-6-19-32(26)44-2)36(42)38(24-40)35(28-15-5-7-20-33(28)45-3)31-18-8-9-21-41(31)39(38)30-17-11-14-25-13-10-16-29(34(25)30)37(39)43/h4-7,10-17,19-20,22,31,35H,8-9,18,21,23-24H2,1-3H3/b27-22+/t31-,35-,38-,39-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method


Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair