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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'liedl' and Initial = 'kr'   
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))
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))
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 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))
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


(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))
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))
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


(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))
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))
BDBM50467309
PNG
(CHEMBL4280421)
Show SMILES Cl.COc1ccc(cc1)C(=O)CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO2/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3
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11n/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))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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15n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]DTG from S1R in P2 fraction of Hartley guinea pig whole brain after 90 mins by liquid scintillation counting method


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))
BDBM50467315
PNG
(CHEMBL4279550)
Show SMILES Cl.O=C(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO/c22-20(13-16-21-14-5-2-6-15-21)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2
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15n/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))
BDBM50467310
PNG
(CHEMBL4284860)
Show SMILES Cl.O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)13-16-22-14-11-19(12-15-22)17-18-7-3-1-4-8-18/h1-10,19H,11-17H2
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16n/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))
BDBM50467300
PNG
(CHEMBL4280664)
Show SMILES Cl.COc1cccc(c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO2/c1-26-22-10-5-9-21(18-22)23(25)11-6-14-24-15-12-20(13-16-24)17-19-7-3-2-4-8-19/h2-5,7-10,18,20H,6,11-17H2,1H3
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17n/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))
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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19n/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))
BDBM50204056
PNG
(CHEMBL3890681)
Show SMILES COc1ccc(cc1)C(C)CCN1CCCCC1
Show InChI InChI=1S/C16H25NO/c1-14(10-13-17-11-4-3-5-12-17)15-6-8-16(18-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3
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20n/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))
BDBM50467323
PNG
(CHEMBL4291311)
Show SMILES Cl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29NO/c28-26(25-13-12-23-9-4-5-10-24(23)20-25)11-6-16-27-17-14-22(15-18-27)19-21-7-2-1-3-8-21/h1-5,7-10,12-13,20,22H,6,11,14-19H2
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24n/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))
BDBM50467308
PNG
(CHEMBL4286461)
Show SMILES Cl.COc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-24-20-9-7-19(8-10-20)21(23)16-22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
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27n/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))
BDBM50467301
PNG
(CHEMBL4285906)
Show SMILES Cl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H25NO/c26-24(23-11-10-21-8-4-5-9-22(21)17-23)18-25-14-12-20(13-15-25)16-19-6-2-1-3-7-19/h1-11,17,20H,12-16,18H2
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27n/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))
BDBM50467312
PNG
(CHEMBL4294724)
Show SMILES Cl.COc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO2/c1-26-22-11-9-21(10-12-22)23(25)8-5-15-24-16-13-20(14-17-24)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-18H2,1H3
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31n/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))
BDBM50204059
PNG
(CHEMBL3891322)
Show SMILES COc1cccc(c1)C(C)CCN1CCCCC1
Show InChI InChI=1S/C16H25NO/c1-14(9-12-17-10-4-3-5-11-17)15-7-6-8-16(13-15)18-2/h6-8,13-14H,3-5,9-12H2,1-2H3
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36n/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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50467300
PNG
(CHEMBL4280664)
Show SMILES Cl.COc1cccc(c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO2/c1-26-22-10-5-9-21(18-22)23(25)11-6-14-24-15-12-20(13-16-24)17-19-7-3-2-4-8-19/h2-5,7-10,18,20H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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 intracellular receptor 2


(Rattus norvegicus (Rat))
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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45n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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))
BDBM50204054
PNG
(CHEMBL3935673)
Show SMILES CC(CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C15H23N/c1-14(15-8-4-2-5-9-15)10-13-16-11-6-3-7-12-16/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
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46n/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 intracellular receptor 2


(Rattus norvegicus (Rat))
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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47n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50467323
PNG
(CHEMBL4291311)
Show SMILES Cl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29NO/c28-26(25-13-12-23-9-4-5-10-24(23)20-25)11-6-16-27-17-14-22(15-18-27)19-21-7-2-1-3-8-21/h1-5,7-10,12-13,20,22H,6,11,14-19H2
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58n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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))
BDBM50467317
PNG
(CHEMBL4286416)
Show SMILES Cl.COc1ccc2cc(ccc2c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H31NO2/c1-30-26-12-11-23-19-25(10-9-24(23)20-26)27(29)8-5-15-28-16-13-22(14-17-28)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,19-20,22H,5,8,13-18H2,1H3
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68n/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))
BDBM50467318
PNG
(CHEMBL4294340)
Show SMILES Cl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
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75n/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))
BDBM50204049
PNG
(CHEMBL3980555)
Show SMILES COc1ccc(cc1)C(C)CCN1CCOCC1
Show InChI InChI=1S/C15H23NO2/c1-13(7-8-16-9-11-18-12-10-16)14-3-5-15(17-2)6-4-14/h3-6,13H,7-12H2,1-2H3
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76n/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))
BDBM50204061
PNG
(CHEMBL1609050)
Show SMILES CC(CCN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3
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85n/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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
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98n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50467317
PNG
(CHEMBL4286416)
Show SMILES Cl.COc1ccc2cc(ccc2c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H31NO2/c1-30-26-12-11-23-19-25(10-9-24(23)20-26)27(29)8-5-15-28-16-13-22(14-17-28)18-21-6-3-2-4-7-21/h2-4,6-7,9-12,19-20,22H,5,8,13-18H2,1H3
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107n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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 intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50467312
PNG
(CHEMBL4294724)
Show SMILES Cl.COc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29NO2/c1-26-22-11-9-21(10-12-22)23(25)8-5-15-24-16-13-20(14-17-24)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-18H2,1H3
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111n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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))
BDBM50204052
PNG
(CHEMBL3933959)
Show SMILES COc1ccc(cc1)C(C)CCN(C)C
Show InChI InChI=1S/C13H21NO/c1-11(9-10-14(2)3)12-5-7-13(15-4)8-6-12/h5-8,11H,9-10H2,1-4H3
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116n/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))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
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125n/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))
BDBM50467306
PNG
(CHEMBL4277983)
Show SMILES Cl.COc1cccc(c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-24-20-9-5-8-19(15-20)21(23)16-22-12-10-18(11-13-22)14-17-6-3-2-4-7-17/h2-9,15,18H,10-14,16H2,1H3
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131n/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))
BDBM50467305
PNG
(CHEMBL4294306)
Show SMILES Cl.O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31NO/c30-28(27-15-13-26(14-16-27)25-10-5-2-6-11-25)12-7-19-29-20-17-24(18-21-29)22-23-8-3-1-4-9-23/h1-6,8-11,13-16,24H,7,12,17-22H2
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135n/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))
BDBM50204050
PNG
(CHEMBL3954297)
Show SMILES COc1cccc(c1)C(C)CCN1CCOCC1
Show InChI InChI=1S/C15H23NO2/c1-13(6-7-16-8-10-18-11-9-16)14-4-3-5-15(12-14)17-2/h3-5,12-13H,6-11H2,1-2H3
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137n/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))
BDBM50467319
PNG
(CHEMBL4277603)
Show SMILES Cl.O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29NO/c29-27(26-13-11-25(12-14-26)24-9-5-2-6-10-24)17-20-28-18-15-23(16-19-28)21-22-7-3-1-4-8-22/h1-14,23H,15-21H2
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167n/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))
BDBM50467311
PNG
(CHEMBL1301346)
Show SMILES Cl.O=C(CCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2
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171n/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 intracellular receptor 2


(Rattus norvegicus (Rat))
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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178n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in rat liver 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))
BDBM50467314
PNG
(CHEMBL4288252)
Show SMILES Cl.O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H27NO/c27-25(24-11-10-22-8-4-5-9-23(22)19-24)14-17-26-15-12-21(13-16-26)18-20-6-2-1-3-7-20/h1-11,19,21H,12-18H2
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211n/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))
BDBM50204053
PNG
(CHEMBL3951669)
Show SMILES COc1cccc(c1)C(C)CCN(C)C
Show InChI InChI=1S/C13H21NO/c1-11(8-9-14(2)3)12-6-5-7-13(10-12)15-4/h5-7,10-11H,8-9H2,1-4H3
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239n/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))
BDBM50467303
PNG
(CHEMBL4281438)
Show SMILES Cl.COc1ccc2cc(ccc2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H27NO2/c1-28-24-10-9-21-16-23(8-7-22(21)17-24)25(27)18-26-13-11-20(12-14-26)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15,18H2,1H3
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286n/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))
BDBM50467307
PNG
(CHEMBL4277661)
Show SMILES Cl.COc1ccc(cc1)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C14H19NO3/c1-17-13-4-2-12(3-5-13)14(16)6-7-15-8-10-18-11-9-15/h2-5H,6-11H2,1H3
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301n/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))
BDBM50467313
PNG
(CHEMBL4289312)
Show SMILES Cl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27NO/c28-26(25-13-11-24(12-14-25)23-9-5-2-6-10-23)20-27-17-15-22(16-18-27)19-21-7-3-1-4-8-21/h1-14,22H,15-20H2
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340n/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))
BDBM50204057
PNG
(CHEMBL3971471)
Show SMILES CC(CCN(C)C)c1ccccc1
Show InChI InChI=1S/C12H19N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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427n/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
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