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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50544926'   
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))		BDBM50544926
PNG
(CHEMBL4644714)
Show SMILES COc1ccc(CC(=O)Nc2ncc(s2)-c2ccc(OCCCCCN3CCCC3)cc2)cc1OC
Show InChI InChI=1S/C28H35N3O4S/c1-33-24-13-8-21(18-25(24)34-2)19-27(32)30-28-29-20-26(36-28)22-9-11-23(12-10-22)35-17-7-3-4-14-31-15-5-6-16-31/h8-13,18,20H,3-7,14-17,19H2,1-2H3,(H,29,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.34E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylcholine iodide as substrate by spectrophotometry based Ellman's method

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126985
BindingDB Entry DOI: 10.7270/Q2QR51QF
More data for this
Ligand-Target Pair