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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50536294'   
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))		BDBM50536294
PNG
(CHEMBL4581887)
Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C23H26BrN5O2/c1-17-2-5-19(14-21(17)23(30)25-8-9-28-10-12-31-13-11-28)22-16-29(27-26-22)15-18-3-6-20(24)7-4-18/h2-7,14,16H,8-13,15H2,1H3,(H,25,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method

Bioorg Med Chem Lett 26: 3881-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.017
BindingDB Entry DOI: 10.7270/Q2KW5KJZ
More data for this
Ligand-Target Pair