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BDBM50035127 1'-butyl-3H-spiro[2-benzofuran-1,4'-piperidine]::CHEMBL64468

SMILES: CCCCN1CCC2(CC1)OCc1ccccc21

InChI Key: InChIKey=AOBSGGAAELZZHI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50035127   
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


(RAT)
BDBM50035127
PNG
(1'-butyl-3H-spiro[2-benzofuran-1,4'-piperidine] | ...)
Show SMILES CCCCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C16H23NO/c1-2-3-10-17-11-8-16(9-12-17)15-7-5-4-6-14(15)13-18-16/h4-7H,2-3,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035127
PNG
(1'-butyl-3H-spiro[2-benzofuran-1,4'-piperidine] | ...)
Show SMILES CCCCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C16H23NO/c1-2-3-10-17-11-8-16(9-12-17)15-7-5-4-6-14(15)13-18-16/h4-7H,2-3,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair