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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50291435'   
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))		BDBM50291435
PNG
(CHEMBL4177133)
Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)CCc2c1
Show InChI InChI=1S/C26H25ClNO3.BrH/c1-17(29)24-16-28(15-21-5-3-4-6-25(21)27)12-11-19(24)13-20-8-7-18-14-22(31-2)9-10-23(18)26(20)30;/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3;1H/q+1;/p-1
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n/an/a 30n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...

Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair