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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50165345'   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50165345
PNG
(CHEMBL3800317)
Show SMILES COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C26H26N2O5/c1-31-22-13-11-17(15-23(22)32-2)12-14-25(30)33-16-24(29)28-26-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)26/h3,5,7,9,11-15H,4,6,8,10,16H2,1-2H3,(H,27,28,29)/b14-12+
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Article
PubMed
n/an/a 159n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 116: 200-209 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.077
BindingDB Entry DOI: 10.7270/Q2XK8HGC
More data for this
Ligand-Target Pair