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SMILES: O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCCF)cc1

InChI Key: InChIKey=JXGKOSIEDIPALQ-DNQXCXABSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 413601   
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))		BDBM413601
PNG
(US10421722, Compound 9b)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCCF)cc1 |r|
Show InChI InChI=1S/C25H30FNO2S/c26-12-3-15-30-22-8-6-18(7-9-22)25(29)19-10-13-27(14-11-19)23-16-20-4-1-2-5-21(20)17-24(23)28/h1-2,4-9,19,23-24,28H,3,10-17H2/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.30n/an/an/an/an/an/an/an/a



Washington University

US Patent


Assay Description
The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...

US Patent US10421722 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41W3
More data for this
Ligand-Target Pair