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SMILES: [N-]=[N+]=NCCCN1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1

InChI Key: InChIKey=AJSHLWHIUSWBIR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419829   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50419829
PNG
(CHEMBL1950508)
Show SMILES [N-]=[N+]=NCCCN1CCCC(COC(=O)c2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C22H26N4O2/c23-25-24-13-7-15-26-14-6-8-18(16-26)17-28-22(27)21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-5,9-12,18H,6-8,13-17H2
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Article
PubMed
n/an/a 4.27E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis

Bioorg Med Chem Lett 22: 1797-813 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.051
BindingDB Entry DOI: 10.7270/Q22Z16S2
More data for this
Ligand-Target Pair