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BDBM50039606 1-(4-fluorobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL86816

SMILES: O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1

InChI Key: InChIKey=RFCNHGNHAMPZOO-JWQCQUIFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039606   
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


(Torpedo californica)		BDBM50039606
PNG
(1-(4-fluorobenzyl)-3-spiro[1,2,3,4-tetrahydronapht...)
Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

Similars
PubMed
 2.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.

J Med Chem 37: 2574-82 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair