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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50125099'   
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


(Homo sapiens (Human))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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Article
PubMed
0.470n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates


Bioorg Med Chem 22: 221-33 (2013)


Article DOI: 10.1016/j.bmc.2013.11.033
BindingDB Entry DOI: 10.7270/Q2SF2XM7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate


Bioorg Med Chem 17: 777-93 (2009)


Article DOI: 10.1016/j.bmc.2008.11.043
BindingDB Entry DOI: 10.7270/Q2CF9PX9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


J Med Chem 52: 2126-37 (2009)


Article DOI: 10.1021/jm801522j
BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
More data for this
Ligand-Target Pair