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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 = 'BDBM50109388'   
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)
BDBM50109388
PNG
(1-(2-phenylethyl)-4-(2-pyridyl)piperazine | 1-Phen...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
322n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum


Eur J Med Chem 43: 1304-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.026
BindingDB Entry DOI: 10.7270/Q2W37W3G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50109388
PNG
(1-(2-phenylethyl)-4-(2-pyridyl)piperazine | 1-Phen...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
326n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins


Bioorg Med Chem Lett 20: 2564-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.087
BindingDB Entry DOI: 10.7270/Q2833S6G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50109388
PNG
(1-(2-phenylethyl)-4-(2-pyridyl)piperazine | 1-Phen...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
326n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound for sigma-1 receptor by displacing [3H]-(+) pentazocine


Bioorg Med Chem Lett 12: 497-500 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7365
More data for this
Ligand-Target Pair