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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50291636'   
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))		BDBM50291636
PNG
(CHEMBL4169938)
Show SMILES [Br-].COc1cc2CCC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27ClNO4.BrH/c1-17(30)24-16-29(15-18-5-4-6-22(28)11-18)10-9-20(24)12-21-8-7-19-13-25(32-2)26(33-3)14-23(19)27(21)31;/h4-6,9-11,13-14,16,21H,7-8,12,15H2,1-3H3;1H/q+1;/p-1
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n/an/a 21n/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