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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50007588   
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


(Homo sapiens (Human))
BDBM50064981
PNG
(CHEMBL77405 | N-(1-Benzyl-piperidin-4-yl)-2-(3-bro...)
Show SMILES Brc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H23BrN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
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0.870n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064959
PNG
(CHEMBL76864 | N-(1-Benzyl-piperidin-4-yl)-2-(3-chl...)
Show SMILES Clc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H23ClN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
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1.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064962
PNG
(CHEMBL306768 | N-(1-Benzyl-piperidin-4-yl)-2-(3-fl...)
Show SMILES Fc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H23FN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
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2.45n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.53n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Compound tested for binding affinity towards sigma 1 receptor in quinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand.


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064967
PNG
(CHEMBL431775 | N-(1-Benzyl-piperidin-4-yl)-2-(2-br...)
Show SMILES Brc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23BrN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24)
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2.89n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064969
PNG
(CHEMBL76564 | N-(1-Benzyl-piperidin-4-yl)-2-(2-chl...)
Show SMILES Clc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23ClN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24)
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3.08n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064955
PNG
(CHEMBL308818 | N-(1-Benzyl-piperidin-4-yl)-2-(3,4-...)
Show SMILES Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F
Show InChI InChI=1S/C20H22F2N2O/c21-18-7-6-16(12-19(18)22)13-20(25)23-17-8-10-24(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
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3.17n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064979
PNG
(CHEMBL310499 | N-(1-Benzyl-piperidin-4-yl)-2-(4-fl...)
Show SMILES Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H23FN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)
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3.43n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064957
PNG
(CHEMBL76806 | N-(1-Benzyl-piperidin-4-yl)-2-(2-flu...)
Show SMILES Fc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23FN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24)
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3.56n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064954
PNG
(CHEMBL76547 | N-(1-Benzyl-piperidin-4-yl)-2-(2,4-d...)
Show SMILES Fc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1
Show InChI InChI=1S/C20H22F2N2O/c21-17-7-6-16(19(22)13-17)12-20(25)23-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14H2,(H,23,25)
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3.87n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064947
PNG
(CHEMBL76895 | N-(1-Benzyl-piperidin-4-yl)-2-phenyl...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O/c23-20(15-17-7-3-1-4-8-17)21-19-11-13-22(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)
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3.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064961
PNG
(CHEMBL77953 | N-(1-Benzyl-piperidin-4-yl)-2-(3-tri...)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-4-7-17(13-18)14-20(27)25-19-9-11-26(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,25,27)
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3.92n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064982
PNG
(CHEMBL77285 | N-(1-Benzyl-piperidin-4-yl)-2-(4-bro...)
Show SMILES Brc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H23BrN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)
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3.97n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064974
PNG
(CHEMBL77289 | N-(1-Benzyl-piperidin-4-yl)-2-(2,5-d...)
Show SMILES Fc1ccc(F)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H22F2N2O/c21-17-6-7-19(22)16(12-17)13-20(25)23-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13-14H2,(H,23,25)
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4.21n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064972
PNG
(CHEMBL311622 | N-(1-Benzyl-piperidin-4-yl)-2-(3-ni...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H23N3O3/c24-20(14-17-7-4-8-19(13-17)23(25)26)21-18-9-11-22(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,21,24)
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4.56n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064977
PNG
(CHEMBL77286 | N-(1-Benzyl-piperidin-4-yl)-2-(3,4-d...)
Show SMILES Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-7-6-16(12-19(18)22)13-20(25)23-17-8-10-24(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
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5.22n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064978
PNG
(CHEMBL78059 | N-(1-Benzyl-piperidin-4-yl)-2-(2,6-d...)
Show SMILES Fc1cccc(F)c1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22F2N2O/c21-18-7-4-8-19(22)17(18)13-20(25)23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
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5.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064944
PNG
(CHEMBL413057 | N-(1-Benzyl-piperidin-4-yl)-2-(4-ch...)
Show SMILES Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H23ClN2O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)
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6.46n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064976
PNG
(CHEMBL77352 | N-(1-Benzyl-piperidin-4-yl)-2-(2,6-d...)
Show SMILES Clc1cccc(Cl)c1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-7-4-8-19(22)17(18)13-20(25)23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
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7.28n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064966
PNG
(2-Benzo[1,3]dioxol-5-yl-N-(1-benzyl-piperidin-4-yl...)
Show SMILES O=C(Cc1ccc2OCOc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H24N2O3/c24-21(13-17-6-7-19-20(12-17)26-15-25-19)22-18-8-10-23(11-9-18)14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,22,24)
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7.32n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064950
PNG
(CHEMBL312254 | N-(1-Benzyl-piperidin-4-yl)-2-(3,5-...)
Show SMILES Fc1cc(F)cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H22F2N2O/c21-17-10-16(11-18(22)13-17)12-20(25)23-19-6-8-24(9-7-19)14-15-4-2-1-3-5-15/h1-5,10-11,13,19H,6-9,12,14H2,(H,23,25)
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7.63n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064971
PNG
(CHEMBL306955 | N-(1-Benzyl-piperidin-4-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)19-9-5-4-8-17(19)14-20(27)25-18-10-12-26(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,25,27)
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8.70n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064953
PNG
(CHEMBL262760 | N-(1-Benzyl-piperidin-4-yl)-2-(2,4-...)
Show SMILES Clc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c21-17-7-6-16(19(22)13-17)12-20(25)23-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14H2,(H,23,25)
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9.66n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064965
PNG
(CHEMBL77773 | N-(1-Benzyl-piperidin-4-yl)-2-(4-tri...)
Show SMILES FC(F)(F)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-6-16(7-9-18)14-20(27)25-19-10-12-26(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,25,27)
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9.84n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064975
PNG
(CHEMBL312692 | N-(1-Benzyl-piperidin-4-yl)-2-(3-me...)
Show SMILES COc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H26N2O2/c1-25-20-9-5-8-18(14-20)15-21(24)22-19-10-12-23(13-11-19)16-17-6-3-2-4-7-17/h2-9,14,19H,10-13,15-16H2,1H3,(H,22,24)
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10.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064970
PNG
(CHEMBL74665 | N-(1-Benzyl-piperidin-4-yl)-2-(2,4-d...)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5/c25-20(12-16-6-7-18(23(26)27)13-19(16)24(28)29)21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,13,17H,8-12,14H2,(H,21,25)
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14.2n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2
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14.3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064986
PNG
(CHEMBL307253 | N-(1-Benzyl-piperidin-4-yl)-2-(4-ni...)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H23N3O3/c24-20(14-16-6-8-19(9-7-16)23(25)26)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,21,24)
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18n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064963
PNG
(CHEMBL311579 | N-(1-Benzyl-piperidin-4-yl)-2-(2-hy...)
Show SMILES Oc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c23-19-9-5-4-8-17(19)14-20(24)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,23H,10-15H2,(H,21,24)
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18.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064968
PNG
(CHEMBL75810 | N-(1-Benzyl-piperidin-4-yl)-2-(3-chl...)
Show SMILES Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl
Show InChI InChI=1S/C20H23ClN2O2/c21-18-12-16(6-7-19(18)24)13-20(25)22-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,24H,8-11,13-14H2,(H,22,25)
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23.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064987
PNG
(CHEMBL305728 | N-(1-Benzyl-piperidin-4-yl)-2-(2-ni...)
Show SMILES [O-][N+](=O)c1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O3/c24-20(14-17-8-4-5-9-19(17)23(25)26)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24)
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26.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064983
PNG
(CHEMBL75816 | N-(1-Benzyl-piperidin-4-yl)-2-(4-met...)
Show SMILES CSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26N2OS/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
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27.1n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064951
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-(2,4-dimethoxy-pheny...)
Show SMILES COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
Show InChI InChI=1S/C21H27N3O3/c1-26-18-8-9-19(20(14-18)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25)
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30.1n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064949
PNG
(CHEMBL312631 | N-(1-Benzyl-piperidin-4-yl)-2-(2-me...)
Show SMILES COc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-25-20-10-6-5-9-18(20)15-21(24)22-19-11-13-23(14-12-19)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,22,24)
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30.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064964
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-(2,3-dimethoxy-...)
Show SMILES COc1cccc(C(O)CNC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C22H30N2O3/c1-26-21-10-6-9-19(22(21)27-2)20(25)15-23-18-11-13-24(14-12-18)16-17-7-4-3-5-8-17/h3-10,18,20,23,25H,11-16H2,1-2H3
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32.1n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064980
PNG
(CHEMBL308097 | N-(1-Benzyl-piperidin-4-yl)-2-(2,5-...)
Show SMILES COc1ccc(OC)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C22H28N2O3/c1-26-20-8-9-21(27-2)18(14-20)15-22(25)23-19-10-12-24(13-11-19)16-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25)
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43.4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064945
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-(4-methylsulfanyl-ph...)
Show SMILES CSc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25N3OS/c1-25-19-9-7-17(8-10-19)21-20(24)22-18-11-13-23(14-12-18)15-16-5-3-2-4-6-16/h2-10,18H,11-15H2,1H3,(H2,21,22,24)
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63.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064984
PNG
(CHEMBL308304 | N-(1-Benzyl-piperidin-4-yl)-2-(4-me...)
Show SMILES COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
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66.4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064956
PNG
(CHEMBL80326 | N-(1-Benzyl-piperidin-4-yl)-2-(3,4,5...)
Show SMILES COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H30N2O4/c1-27-20-13-18(14-21(28-2)23(20)29-3)15-22(26)24-19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3,(H,24,26)
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80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064952
PNG
(CHEMBL419656 | N-(1-Benzyl-piperidin-4-yl)-2-(3-hy...)
Show SMILES Oc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C20H24N2O2/c23-19-8-4-7-17(13-19)14-20(24)21-18-9-11-22(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18,23H,9-12,14-15H2,(H,21,24)
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110n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064985
PNG
(CHEMBL312576 | N-(1-Benzyl-piperidin-4-yl)-2-(3,5-...)
Show SMILES COc1cc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1
Show InChI InChI=1S/C22H28N2O3/c1-26-20-12-18(13-21(15-20)27-2)14-22(25)23-19-8-10-24(11-9-19)16-17-6-4-3-5-7-17/h3-7,12-13,15,19H,8-11,14,16H2,1-2H3,(H,23,25)
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121n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064948
PNG
(CHEMBL75864 | N-(1-Benzyl-piperidin-4-yl)-2-(4-hyd...)
Show SMILES Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H24N2O2/c23-19-8-6-16(7-9-19)14-20(24)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,23H,10-15H2,(H,21,24)
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287n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064960
PNG
(CHEMBL76528 | N-(1-Benzyl-piperidin-4-yl)-2-(3,4-d...)
Show SMILES COc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H28N2O3/c1-26-20-9-8-18(14-21(20)27-2)15-22(25)23-19-10-12-24(13-11-19)16-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25)
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352n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064973
PNG
(2-(4-Amino-phenyl)-N-(1-benzyl-piperidin-4-yl)-ace...)
Show SMILES Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25N3O/c21-18-8-6-16(7-9-18)14-20(24)22-19-10-12-23(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-15,21H2,(H,22,24)
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470n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064958
PNG
(CHEMBL309228 | N-(1-Benzyl-piperidin-4-yl)-2-(3,4-...)
Show SMILES Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1O
Show InChI InChI=1S/C20H24N2O3/c23-18-7-6-16(12-19(18)24)13-20(25)21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,23-24H,8-11,13-14H2,(H,21,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Compound tested for binding affinity towards sigma 1 receptor in quinea pig brain membranes using [3H]-(+)-pentazocine as the radioligand.


J Med Chem 41: 2361-70 (1998)


Article DOI: 10.1021/jm980032l
BindingDB Entry DOI: 10.7270/Q2RN36Z5
More data for this
Ligand-Target Pair