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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50165344'   
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))
BDBM50165344
PNG
(CHEMBL3800453)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...


Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair