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BDBM50299288 3-(3-Fluoropropyl)-1'-(3-methylbut-2-en-1-yl)-3H-spiro[[2]benzofuran-1,4'-piperidine]::CHEMBL584199

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

InChI Key: InChIKey=JOPMQBOGLVNUSY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299288   
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))
BDBM50299288
PNG
(3-(3-Fluoropropyl)-1'-(3-methylbut-2-en-1-yl)-3H-s...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](-[#6]-[#6]-[#6]F)-c1ccccc21
Show InChI InChI=1S/C20H28FNO/c1-16(2)9-13-22-14-10-20(11-15-22)18-7-4-3-6-17(18)19(23-20)8-5-12-21/h3-4,6-7,9,19H,5,8,10-15H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting


J Med Chem 52: 6062-72 (2009)


Article DOI: 10.1021/jm900909e
BindingDB Entry DOI: 10.7270/Q2KH0ND9
More data for this
Ligand-Target Pair