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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50513743'   
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))		BDBM50513743
PNG
(CHEMBL4438605)
Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC
Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Guizhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide incubated for 15 mins as substrate by Ellman's method

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126625
BindingDB Entry DOI: 10.7270/Q2KD2286
More data for this
Ligand-Target Pair