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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'rossi' and Initial = 'd'   
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)
BDBM50248926
PNG
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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0.100n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
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+
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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))
BDBM50357453
PNG
(CHEMBL1917719)
Show SMILES CC(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3
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0.700n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357441
PNG
(CHEMBL1917705)
Show SMILES C\C(=C/CN1CCCCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-14H,3,6-7,15-17H2,1H3/b18-14+
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0.860n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357440
PNG
(CHEMBL1917704)
Show SMILES C\C(=C/CN1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18/h3-4,7-11,15H,2,5-6,12-14H2,1H3/b16-11+
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0.970n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
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+
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1.07n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310078
PNG
((R/S)-1-(3-(6-Methoxynaphthalen-2-yl)butyl)piperid...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3
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1.29n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198061
PNG
((E)-N,N-dimethyl-3-(biphen-4-yl)but-2-en-1-ylamine...)
Show SMILES CN(C)C\C=C(/C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H21N/c1-15(13-14-19(2)3)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3/b15-13+
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1.40n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204051
PNG
(CHEMBL3910100)
Show SMILES CC(CCN1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-16(11-14-20-12-5-2-6-13-20)18-10-9-17-7-3-4-8-19(17)15-18/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3
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1.5n/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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50467316
PNG
(CHEMBL3621972)
Show SMILES C[C@H](CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3/t18-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50467316
PNG
(CHEMBL3621972)
Show SMILES C[C@H](CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3/t18-/m1/s1
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1.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198064
PNG
(CHEMBL224855 | N,N-dimethyl-3-(naphthalen-2-yl)but...)
Show SMILES CC(CCN(C)C)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H21N/c1-13(10-11-17(2)3)15-9-8-14-6-4-5-7-16(14)12-15/h4-9,12-13H,10-11H2,1-3H3
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2n/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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
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
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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
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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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
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
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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
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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))
BDBM50467321
PNG
(CHEMBL4289910)
Show SMILES Cl.O=C(CCN1CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO/c20-18(10-13-19-11-4-1-5-12-19)17-9-8-15-6-2-3-7-16(15)14-17/h2-3,6-9,14H,1,4-5,10-13H2
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2.20n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310077
PNG
((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3
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2.31n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310074
PNG
((R/S)-4-(benzyl(methyl)amino)-2-(biphenyl-4-yl)but...)
Show SMILES CN(CCC(C)(O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO/c1-24(26,17-18-25(2)19-20-9-5-3-6-10-20)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,26H,17-19H2,1-2H3
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2.38n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50608088
PNG
(CHEMBL5271242)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248955
PNG
(3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...)
Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3
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2.90n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204058
PNG
(CHEMBL3960377)
Show SMILES COc1cccc(c1)C(C)CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H31NO/c1-19(22-9-6-10-23(18-22)25-2)11-14-24-15-12-21(13-16-24)17-20-7-4-3-5-8-20/h3-10,18-19,21H,11-17H2,1-2H3
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2.90n/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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50467320
PNG
(CHEMBL4294260)
Show SMILES Cl.O=C(CCN1CCOCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21NO2/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9H,10-15H2
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2.90n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204048
PNG
(CHEMBL3942914)
Show SMILES COc1ccc(cc1)C(C)CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H31NO/c1-19(22-8-10-23(25-2)11-9-22)12-15-24-16-13-21(14-17-24)18-20-6-4-3-5-7-20/h3-11,19,21H,12-18H2,1-2H3
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3.5n/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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198062
PNG
((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3
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3.59n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248905
PNG
(3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...)
Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
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3.60n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50248929
PNG
(3-[[1-(4-Fluorobenzyl)piperidin-4-yl]methyl]benzo[...)
Show SMILES Fc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1
Show InChI InChI=1S/C20H21FN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2
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3.90n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357431
PNG
(CHEMBL1917712)
Show SMILES COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO/c1-19(22-8-10-23(25-2)11-9-22)12-15-24-16-13-21(14-17-24)18-20-6-4-3-5-7-20/h3-12,21H,13-18H2,1-2H3/b19-12+
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4.14n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198065
PNG
(4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...)
Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+
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4.17n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310076
PNG
((E)-1-(3-(6-Methoxynaphthalen-2-yl)but-2-enyl)pipe...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN1CCCCC1
Show InChI InChI=1S/C20H25NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3/b16-10+
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4.41n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357429
PNG
(CHEMBL1917702)
Show SMILES COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1
Show InChI InChI=1S/C19H23NO/c1-16(18-9-11-19(21-3)12-10-18)13-14-20(2)15-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b16-13+
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5.25n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50204060
PNG
(CHEMBL3961445)
Show SMILES CC(CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17/h2-7,14-15H,8-13H2,1H3
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5.40n/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 cerebral cortex membranes after 120 mins by scintillation counting analysis


Bioorg Med Chem 25: 11-19 (2017)


Article DOI: 10.1016/j.bmc.2016.10.005
BindingDB Entry DOI: 10.7270/Q23R0VVP
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
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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


(RAT)
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
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5.70n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane


Eur J Med Chem 44: 124-30 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.011
BindingDB Entry DOI: 10.7270/Q2639PHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
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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


(RAT)
BDBM50310072
PNG
((R/S)-4-(Benzyl(methyl)amino)-2-(6-methoxynaphthal...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(25,13-14-24(2)17-18-7-5-4-6-8-18)21-11-9-20-16-22(26-3)12-10-19(20)15-21/h4-12,15-16,25H,13-14,17H2,1-3H3
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6.04n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


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


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198065
PNG
(4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...)
Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+
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6.32n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
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
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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
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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
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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))
BDBM50357446
PNG
(CHEMBL1917710)
Show SMILES C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N/c1-23(26-12-14-28(15-13-26)27-10-6-3-7-11-27)16-19-29-20-17-25(18-21-29)22-24-8-4-2-5-9-24/h2-16,25H,17-22H2,1H3/b23-16+
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7.02n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50357447
PNG
(CHEMBL1917713)
Show SMILES COc1cccc(c1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO/c1-19(22-9-6-10-23(18-22)25-2)11-14-24-15-12-21(13-16-24)17-20-7-4-3-5-8-20/h3-11,18,21H,12-17H2,1-2H3/b19-11+
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7.70n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50198058
PNG
((E)-N-benzyl-N-methyl-3-(naphthalen-2-yl)but-2-en-...)
Show SMILES CN(C\C=C(/C)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C22H23N/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21/h3-14,16H,15,17H2,1-2H3/b18-14+
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7.88n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50467302
PNG
(CHEMBL3337635)
Show SMILES Cl.COc1ccc(cc1)C(=O)CCN1CCCCC1
Show InChI InChI=1S/C15H21NO2/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8H,2-4,9-12H2,1H3
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7.90n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50421423
PNG
(CHEMBL543939)
Show SMILES O=C(CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2
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9n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50467322
PNG
(CHEMBL4292746)
Show SMILES Cl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22(21-10-5-2-6-11-21)12-7-15-23-16-13-20(14-17-23)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2
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9n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay


Eur J Med Chem 158: 353-370 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.010
BindingDB Entry DOI: 10.7270/Q20004SK
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+
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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))
BDBM50357448
PNG
(CHEMBL1917714)
Show SMILES C\C(=C/CN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO/c1-15(8-9-19-10-12-20-13-11-19)17-7-6-16-4-2-3-5-18(16)14-17/h2-8,14H,9-13H2,1H3/b15-8+
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9.60n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Bioorg Med Chem 19: 6210-24 (2011)


Article DOI: 10.1016/j.bmc.2011.09.016
BindingDB Entry DOI: 10.7270/Q2VH5P7V
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
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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
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