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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50248959'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248959
PNG
(3-((1-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248959
PNG
(3-((1-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248959
PNG
(3-((1-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair