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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50232228'   
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


(Homo sapiens (Human))		BDBM50232228
PNG
(CHEMBL4087300)
Show SMILES CCN(CC)CCCCCCCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C30H44N2O3/c1-4-32(5-2)23-15-10-8-6-7-9-11-16-24-35-28-21-19-26(25-29(28)34-3)20-22-30(33)31-27-17-13-12-14-18-27/h12-14,17-22,25H,4-11,15-16,23-24H2,1-3H3,(H,31,33)/b22-20+
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Article
PubMed
n/an/a 8.47E+3n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method

Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair