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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50513311'   
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))		BDBM50513311
PNG
(CHEMBL4522998)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc2nc3-c4[nH]c5ccccc5c4CCn3c(=O)c2c1
Show InChI InChI=1S/C25H17F3N4O3S/c26-25(27,28)14-4-3-5-16(12-14)36(34,35)31-15-8-9-21-19(13-15)24(33)32-11-10-18-17-6-1-2-7-20(17)29-22(18)23(32)30-21/h1-9,12-13,29,31H,10-11H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured afte...

Eur J Med Chem 177: 198-211 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.055
BindingDB Entry DOI: 10.7270/Q2P84G71
More data for this
Ligand-Target Pair