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BDBM50334172 3-(2-Fluoroethyl)-1'-(3-methylbut-2-en-1-yl)-3H-spiro[[2]-benzofuran-1,4'-piperidine]::CHEMBL1645216

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]F)-c1ccccc21

InChI Key: InChIKey=IAIZJKMKOWCBHT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334172   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50334172
PNG
(3-(2-Fluoroethyl)-1'-(3-methylbut-2-en-1-yl)-3H-sp...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]F)-c1ccccc21
Show InChI InChI=1S/C19H26FNO/c1-15(2)8-12-21-13-9-19(10-14-21)17-6-4-3-5-16(17)18(22-19)7-11-20/h3-6,8,18H,7,9-14H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting


Bioorg Med Chem 19: 393-405 (2011)


Article DOI: 10.1016/j.bmc.2010.11.013
BindingDB Entry DOI: 10.7270/Q23F4PWG
More data for this
Ligand-Target Pair