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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50291612'   
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))		BDBM50291612
PNG
(CHEMBL4163678)
Show SMILES [Br-].COc1ccc(cc1OC)C(=O)CCc1cc[n+](Cc2cccc(F)c2)cc1C#N
Show InChI InChI=1S/C24H22FN2O3/c1-29-23-9-7-19(13-24(23)30-2)22(28)8-6-18-10-11-27(16-20(18)14-26)15-17-4-3-5-21(25)12-17/h3-5,7,9-13,16H,6,8,15H2,1-2H3/q+1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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