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BDBM50299287 1'-Butyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran-1,4'-piperidine]::CHEMBL573163

SMILES: CCCCN1CCC2(CC1)OC(CCCF)c1ccccc21

InChI Key: InChIKey=PYBOXKUXTUANDS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299287   
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))
BDBM50299287
PNG
(1'-Butyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofuran...)
Show SMILES CCCCN1CCC2(CC1)OC(CCCF)c1ccccc21
Show InChI InChI=1S/C19H28FNO/c1-2-3-13-21-14-10-19(11-15-21)17-8-5-4-7-16(17)18(22-19)9-6-12-20/h4-5,7-8,18H,2-3,6,9-15H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/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