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SMILES: NCC1(CCN(CC1)[C@@H]1Cc2c(I)cccc2C[C@H]1O)c1ccccc1

InChI Key: InChIKey=KGIAXLXHOYZACK-NHCUHLMSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292902   
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
Vesicular acetylcholine transporter


(Homo sapiens (Human))		BDBM50292902
PNG
((2R,3R)-3-(4-(aminomethyl)-4-phenylpiperidin-1-yl)...)
Show SMILES NCC1(CCN(CC1)[C@@H]1Cc2c(I)cccc2C[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C22H27IN2O/c23-19-8-4-5-16-13-21(26)20(14-18(16)19)25-11-9-22(15-24,10-12-25)17-6-2-1-3-7-17/h1-8,20-21,26H,9-15,24H2/t20-,21-/m1/s1
KEGG

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Similars
Article
PubMed
n/an/an/a 3n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry

J Med Chem 52: 1358-69 (2009)


Article DOI: 10.1021/jm8012344
BindingDB Entry DOI: 10.7270/Q26W9B3B
More data for this
Ligand-Target Pair