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BDBM50235322 CHEMBL4066593

SMILES: Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1

InChI Key: InChIKey=JMIGZIWPSZZMPM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235322   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50235322
PNG
(CHEMBL4066593)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H41ClN4/c35-24-19-20-28-32(23-24)39-31-18-10-7-15-27(31)34(28)37-22-12-4-2-1-3-11-21-36-33-25-13-5-8-16-29(25)38-30-17-9-6-14-26(30)33/h5,8,13,16,19-20,23H,1-4,6-7,9-12,14-15,17-18,21-22H2,(H,36,38)(H,37,39)
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ellman's method

Eur J Med Chem 128: 332-345 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.060
BindingDB Entry DOI: 10.7270/Q2HM5BQX
More data for this
Ligand-Target Pair