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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50257493'   
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


(Cavia porcellus (Guinea pig))
BDBM50257493
PNG
((R)-(1-benzyl-4-(4-methoxybenzyl)piperazin-2-yl)me...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r|
Show InChI InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Greifswald

Curated by ChEMBL


Assay Description
Binding affinity to 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


(Homo sapiens (Human))
BDBM50257493
PNG
((R)-(1-benzyl-4-(4-methoxybenzyl)piperazin-2-yl)me...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r|
Show InChI InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/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