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BDBM50035111 1'-{4-[1-(2-thienyl)-1H-3-indolyl]butyl}spiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)]::CHEMBL61812

SMILES: C(CCc1cn(-c2cccs2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21

InChI Key: InChIKey=XQHBRYRWTUEGGP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035111   
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)		BDBM50035111
PNG
(1'-{4-[1-(2-thienyl)-1H-3-indolyl]butyl}spiro[1,3-...)
Show SMILES C(CCc1cn(-c2cccs2)c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C28H30N2OS/c1-3-11-25-23(9-1)21-31-28(25)14-17-29(18-15-28)16-6-5-8-22-20-30(27-13-7-19-32-27)26-12-4-2-10-24(22)26/h1-4,7,9-13,19-20H,5-6,8,14-18,21H2
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine

J Med Chem 38: 1998-2008 (1995)


BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair