BindingDB logo
myBDB logout

PubMed code 19875205

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from guinea-pig cerebral cortex sigma 1 receptor after 150 mins


Eur J Med Chem 45: 256-63 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.004
BindingDB Entry DOI: 10.7270/Q2MS3SXW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocin from sigma 1 opioid receptor in human Jurkat cells by scintillation counting


Eur J Med Chem 45: 256-63 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.004
BindingDB Entry DOI: 10.7270/Q2MS3SXW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/an/an/an/an/an/a



UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocin from sigma 1 opioid receptor in human Jurkat cells by scintillation counting


Eur J Med Chem 45: 256-63 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.004
BindingDB Entry DOI: 10.7270/Q2MS3SXW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocin from sigma 1 opioid receptor in human Jurkat cells by scintillation counting


Eur J Med Chem 45: 256-63 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.004
BindingDB Entry DOI: 10.7270/Q2MS3SXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%