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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50468694'   
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))		BDBM50468694
PNG
(CHEMBL4285601)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO6/c1-29-22-12-19-20(27)13-24(32-21(19)14-23(22)30-2)25(28)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...

Eur J Med Chem 156: 534-553 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.026
BindingDB Entry DOI: 10.7270/Q2N300PH
More data for this
Ligand-Target Pair