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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50189893'   
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


(Homo sapiens (Human))		BDBM50189893
PNG
(CHEMBL3828679)
Show SMILES [Br-].CCCCCCCCCC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1
Show InChI InChI=1S/C24H41N2O4.BrH/c1-7-8-9-10-11-12-13-14-18(2)23-28-16-20-15-26(6)19(3)22(21(20)17-29-23)30-24(27)25(4)5;/h15,18,23H,7-14,16-17H2,1-6H3;1H/q+1;/p-1
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n/an/a 460n/an/an/an/an/an/a



Kazan (Volga region) Federal University

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...

Bioorg Med Chem Lett 26: 4092-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.070
BindingDB Entry DOI: 10.7270/Q2BR8V31
More data for this
Ligand-Target Pair