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PubMed code 27838169

Compile data set for download or QSAR
Found 16 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))
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))
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))
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))
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))
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 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 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 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))
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))
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))
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
* indicates data uncertainty>20%