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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50499523'   
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))
BDBM50499523
PNG
(CHEMBL3740513)
Show SMILES Clc1ccc2nc(-c3cccs3)c3CCCOc3c2c1
Show InChI InChI=1S/C16H12ClNOS/c17-10-5-6-13-12(9-10)16-11(3-1-7-19-16)15(18-13)14-4-2-8-20-14/h2,4-6,8-9H,1,3,7H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.39E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectroph...


Eur J Med Chem 105: 120-37 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.007
BindingDB Entry DOI: 10.7270/Q2GF0XHB
More data for this
Ligand-Target Pair