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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50234776'   
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))
BDBM50234776
PNG
(CHEMBL4066907)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C25H20N4O3/c26-22-17-5-1-2-6-19(17)28-25-21(22)20(14-7-10-16(11-8-14)29(30)31)18-12-9-15-4-3-13-27-23(15)24(18)32-25/h3-4,7-13,20H,1-2,5-6H2,(H2,26,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...


Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair