BindingDB logo
myBDB logout

PubMed code 27614411

Compile data set for download or QSAR
Found 25 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))
BDBM50357430
PNG
(CHEMBL1917711)
Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H27N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-12,21H,13-18H2,1H3/b19-12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204055
PNG
(CHEMBL3890800)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-11,19,21H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204055
PNG
(CHEMBL3890800)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-11,19,21H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204055
PNG
(CHEMBL3890800)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29N/c1-19(22-10-6-3-7-11-22)12-15-23-16-13-21(14-17-23)18-20-8-4-2-5-9-20/h2-11,19,21H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204062
PNG
(CHEMBL3895012)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N/c1-21(25-12-11-24-9-5-6-10-26(24)20-25)13-16-27-17-14-23(15-18-27)19-22-7-3-2-4-8-22/h2-12,20-21,23H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204062
PNG
(CHEMBL3895012)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N/c1-21(25-12-11-24-9-5-6-10-26(24)20-25)13-16-27-17-14-23(15-18-27)19-22-7-3-2-4-8-22/h2-12,20-21,23H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204062
PNG
(CHEMBL3895012)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N/c1-21(25-12-11-24-9-5-6-10-26(24)20-25)13-16-27-17-14-23(15-18-27)19-22-7-3-2-4-8-22/h2-12,20-21,23H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210331
PNG
(CHEMBL3913410)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31NO/c1-26(28,25-12-11-23-9-5-6-10-24(23)20-25)15-18-27-16-13-22(14-17-27)19-21-7-3-2-4-8-21/h2-12,20,22,28H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210331
PNG
(CHEMBL3913410)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31NO/c1-26(28,25-12-11-23-9-5-6-10-24(23)20-25)15-18-27-16-13-22(14-17-27)19-21-7-3-2-4-8-21/h2-12,20,22,28H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210331
PNG
(CHEMBL3913410)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31NO/c1-26(28,25-12-11-23-9-5-6-10-24(23)20-25)15-18-27-16-13-22(14-17-27)19-21-7-3-2-4-8-21/h2-12,20,22,28H,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210267
PNG
(CHEMBL3950888)
Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H29NO/c1-20(23-7-8-25-19-26(28)10-9-24(25)18-23)11-14-27-15-12-22(13-16-27)17-21-5-3-2-4-6-21/h2-11,18-19,22,28H,12-17H2,1H3/b20-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.60n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210266
PNG
(CHEMBL3912465)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-22(24,21-10-6-3-7-11-21)14-17-23-15-12-20(13-16-23)18-19-8-4-2-5-9-19/h2-11,20,24H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.80n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210266
PNG
(CHEMBL3912465)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-22(24,21-10-6-3-7-11-21)14-17-23-15-12-20(13-16-23)18-19-8-4-2-5-9-19/h2-11,20,24H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.80n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357445
PNG
(CHEMBL1917709)
Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N/c1-21(25-12-11-24-9-5-6-10-26(24)20-25)13-16-27-17-14-23(15-18-27)19-22-7-3-2-4-8-22/h2-13,20,23H,14-19H2,1H3/b21-13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in rat brain homogenates without cerebellum


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210328
PNG
(CHEMBL3931167)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO2/c1-26(29,24-9-7-23-19-25(28)10-8-22(23)18-24)13-16-27-14-11-21(12-15-27)17-20-5-3-2-4-6-20/h2-10,18-19,21,28-29H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210328
PNG
(CHEMBL3931167)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO2/c1-26(29,24-9-7-23-19-25(28)10-8-22(23)18-24)13-16-27-14-11-21(12-15-27)17-20-5-3-2-4-6-20/h2-10,18-19,21,28-29H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210266
PNG
(CHEMBL3912465)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-22(24,21-10-6-3-7-11-21)14-17-23-15-12-20(13-16-23)18-19-8-4-2-5-9-19/h2-11,20,24H,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210330
PNG
(CHEMBL3913896)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO/c1-20(23-7-8-25-19-26(28)10-9-24(25)18-23)11-14-27-15-12-22(13-16-27)17-21-5-3-2-4-6-21/h2-10,18-20,22,28H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210330
PNG
(CHEMBL3913896)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO/c1-20(23-7-8-25-19-26(28)10-9-24(25)18-23)11-14-27-15-12-22(13-16-27)17-21-5-3-2-4-6-21/h2-10,18-20,22,28H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210330
PNG
(CHEMBL3913896)
Show SMILES CC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO/c1-20(23-7-8-25-19-26(28)10-9-24(25)18-23)11-14-27-15-12-22(13-16-27)17-21-5-3-2-4-6-21/h2-10,18-20,22,28H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210328
PNG
(CHEMBL3931167)
Show SMILES CC(O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C26H31NO2/c1-26(29,24-9-7-23-19-25(28)10-8-22(23)18-24)13-16-27-14-11-21(12-15-27)17-20-5-3-2-4-6-20/h2-10,18-19,21,28-29H,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50210268
PNG
(CHEMBL3984952)
Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN |TLB:22:21:16.18.17:20.13.14,THB:12:13:21:16.18.17|
Show InChI InChI=1S/C27H45N3O3/c1-21-14-15-26(32-2)25(18-21)29-27(31)33-24-19-22-12-11-13-23(20-24)30(22)17-10-8-6-4-3-5-7-9-16-28/h14-15,18,22-24H,3-13,16-17,19-20,28H2,1-2H3,(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
133n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50210329
PNG
(CHEMBL260826)
Show SMILES O[C@@H](CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |THB:11:9:3:5.6|
Show InChI InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2/t17?,19?,20?,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
544n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 90 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
908n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis


Eur J Med Chem 124: 649-665 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.067
BindingDB Entry DOI: 10.7270/Q2MS3VSX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%