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SMILES: C(CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=AUYOBRGGEYPRJO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50430524   
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))		BDBM50430524
PNG
(CHEMBL2335969)
Show SMILES C(CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H40N4/c1(16-28-41-38-33-24-12-14-26-35(33)42-36-27-15-13-25-34(36)38)2-17-29-44-39(31-20-8-4-9-21-31)37(30-18-6-3-7-19-30)43-40(44)32-22-10-5-11-23-32/h3-12,14,18-24,26H,1-2,13,15-17,25,27-29H2,(H,41,42)
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair