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BDBM50039611 1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol::CHEMBL88046

SMILES: O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21

InChI Key: InChIKey=BRQAXBHHLAPYOC-DNQXCXABSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039611   
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)
BDBM50039611
PNG
(1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydro...)
Show SMILES O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1N1CCC2(CC1)C=Cc1ccccc21 |c:24|
Show InChI InChI=1S/C25H29IN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-9,11,23-24,29H,10,12-18H2/t23-,24-/m1/s1
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.762n/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