BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199147'   
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))		BDBM50199147
PNG
(CHEMBL3963904)
Show SMILES CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H21N3O5S/c1-23(2)12-16-6-7-17(30-16)13-31-9-8-24-21(26)18-5-3-4-14-10-15(25(28)29)11-19(20(14)18)22(24)27/h3-7,10-11H,8-9,12-13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method

Bioorg Med Chem Lett 26: 5573-5579 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.072
BindingDB Entry DOI: 10.7270/Q22F7QDF
More data for this
Ligand-Target Pair