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SMILES: CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc(O)cc1

InChI Key: InChIKey=GYRDTCUJPWURGA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50468746   
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
Cholinesterase


(Homo sapiens (Human))		BDBM50468746
PNG
(CHEMBL4294752)
Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H35N3O2/c1-27(2)14-15-29(26(31)21-9-11-25(30)12-10-21)19-20-6-5-13-28(18-20)24-16-22-7-3-4-8-23(22)17-24/h3-4,7-12,20,24,30H,5-6,13-19H2,1-2H3
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...

Eur J Med Chem 156: 598-617 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.033
BindingDB Entry DOI: 10.7270/Q27W6FW2
More data for this
Ligand-Target Pair