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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50011499   
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))
BDBM50107225
PNG
(2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperid...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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1.15n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107212
PNG
(2-(3-Bromo-phenyl)-N-[1-(4-fluoro-benzyl)-piperidi...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(Br)c2)cc1
Show InChI InChI=1S/C20H22BrFN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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1.21n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107223
PNG
(2-(3-Bromo-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-...)
Show SMILES Brc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
Show InChI InChI=1S/C20H22BrIN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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1.78n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107195
PNG
(2-(3-Fluoro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin...)
Show SMILES Fc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
Show InChI InChI=1S/C20H22FIN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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2.25n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107203
PNG
(2-(3-Chloro-phenyl)-N-[1-(3-iodo-benzyl)-piperidin...)
Show SMILES Clc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
Show InChI InChI=1S/C20H22ClIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25)
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2.31n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
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
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107211
PNG
(CHEMBL135083 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2F)cc1
Show InChI InChI=1S/C20H22F2N2O/c21-17-7-5-15(6-8-17)14-24-11-9-18(10-12-24)23-20(25)13-16-3-1-2-4-19(16)22/h1-8,18H,9-14H2,(H,23,25)
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3.15n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107201
PNG
(2-(3-Chloro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin...)
Show SMILES Clc1cccc(CC(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c1
Show InChI InChI=1S/C20H22ClIN2O/c21-17-3-1-2-16(12-17)13-20(25)23-19-8-10-24(11-9-19)14-15-4-6-18(22)7-5-15/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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3.21n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107227
PNG
(2-(3-Bromo-phenyl)-N-[1-(3-iodo-benzyl)-piperidin-...)
Show SMILES Brc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
Show InChI InChI=1S/C20H22BrIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25)
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3.49n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
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 for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107208
PNG
(CHEMBL138688 | N-(1-Benzyl-piperidin-4-yl)-2-thiop...)
Show SMILES O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2OS/c21-18(13-17-7-4-12-22-17)19-16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,19,21)
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3.93n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107198
PNG
(CHEMBL335953 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H24N2O3/c24-21(13-16-4-2-1-3-5-16)22-18-8-10-23(11-9-18)14-17-6-7-19-20(12-17)26-15-25-19/h1-7,12,18H,8-11,13-15H2,(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 for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107221
PNG
(2-(2-Fluoro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin...)
Show SMILES Fc1ccccc1CC(=O)NC1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C20H22FIN2O/c21-19-4-2-1-3-16(19)13-20(25)23-18-9-11-24(12-10-18)14-15-5-7-17(22)8-6-15/h1-8,18H,9-14H2,(H,23,25)
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4.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107232
PNG
(2-(3-Fluoro-phenyl)-N-[1-(3-iodo-benzyl)-piperidin...)
Show SMILES Fc1cccc(CC(=O)NC2CCN(Cc3cccc(I)c3)CC2)c1
Show InChI InChI=1S/C20H22FIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25)
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4.29n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107230
PNG
(CHEMBL336037 | N-(1-Benzyl-piperidin-4-yl)-2-napht...)
Show SMILES O=C(Cc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N2O/c27-24(17-21-11-6-10-20-9-4-5-12-23(20)21)25-22-13-15-26(16-14-22)18-19-7-2-1-3-8-19/h1-12,22H,13-18H2,(H,25,27)
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4.64n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107216
PNG
(CHEMBL136451 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2cccc(F)c2)cc1
Show InChI InChI=1S/C20H22F2N2O/c21-17-6-4-15(5-7-17)14-24-10-8-19(9-11-24)23-20(25)13-16-2-1-3-18(22)12-16/h1-7,12,19H,8-11,13-14H2,(H,23,25)
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5.51n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107226
PNG
(CHEMBL344023 | N-[1-(3,4-Difluoro-benzyl)-piperidi...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1F
Show InChI InChI=1S/C20H22F2N2O/c21-18-7-6-16(12-19(18)22)14-24-10-8-17(9-11-24)23-20(25)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
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6.30n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107224
PNG
(CHEMBL341957 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H23FN2O/c21-18-8-6-17(7-9-18)15-23-12-10-19(11-13-23)22-20(24)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,22,24)
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6.59n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107219
PNG
(CHEMBL137675 | N-[1-(3-Iodo-benzyl)-piperidin-4-yl...)
Show SMILES Ic1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H23IN2O/c21-18-8-4-7-17(13-18)15-23-11-9-19(10-12-23)22-20(24)14-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
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6.75n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107199
PNG
(CHEMBL138249 | N-(1-Benzyl-piperidin-4-yl)-2-thiop...)
Show SMILES O=C(Cc1ccsc1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2OS/c21-18(12-16-8-11-22-14-16)19-17-6-9-20(10-7-17)13-15-4-2-1-3-5-15/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,19,21)
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7.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107194
PNG
(CHEMBL139156 | N-[1-(3,4-Dichloro-benzyl)-piperidi...)
Show SMILES Clc1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-7-6-16(12-19(18)22)14-24-10-8-17(9-11-24)23-20(25)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)
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7.24n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107197
PNG
(CHEMBL139629 | N-[1-(3-Fluoro-benzyl)-piperidin-4-...)
Show SMILES Fc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H23FN2O/c21-18-8-4-7-17(13-18)15-23-11-9-19(10-12-23)22-20(24)14-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
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8.22n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107210
PNG
(CHEMBL139735 | N-[1-(4-Iodo-benzyl)-piperidin-4-yl...)
Show SMILES Ic1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H23IN2O/c21-18-8-6-17(7-9-18)15-23-12-10-19(11-13-23)22-20(24)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,22,24)
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9.03n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107231
PNG
(CHEMBL345051 | N-[1-(2-Fluoro-benzyl)-piperidin-4-...)
Show SMILES Fc1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23FN2O/c21-19-9-5-4-8-17(19)15-23-12-10-18(11-13-23)22-20(24)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24)
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10.2n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107229
PNG
(CHEMBL341936 | N-(1-Benzyl-piperidin-4-yl)-2-(1H-i...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c26-22(14-18-15-23-21-9-5-4-8-20(18)21)24-19-10-12-25(13-11-19)16-17-6-2-1-3-7-17/h1-9,15,19,23H,10-14,16H2,(H,24,26)
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10.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107202
PNG
(CHEMBL344402 | N-(1-Benzyl-piperidin-4-yl)-2-(4-io...)
Show SMILES Ic1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H23IN2O/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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13.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
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 for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107222
PNG
(2-(2-Fluoro-phenyl)-N-[1-(3-iodo-benzyl)-piperidin...)
Show SMILES Fc1ccccc1CC(=O)NC1CCN(Cc2cccc(I)c2)CC1
Show InChI InChI=1S/C20H22FIN2O/c21-19-7-2-1-5-16(19)13-20(25)23-18-8-10-24(11-9-18)14-15-4-3-6-17(22)12-15/h1-7,12,18H,8-11,13-14H2,(H,23,25)
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15.4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107209
PNG
(CHEMBL344186 | N-[1-(4-Nitro-benzyl)-piperidin-4-y...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H23N3O3/c24-20(14-16-4-2-1-3-5-16)21-18-10-12-22(13-11-18)15-17-6-8-19(9-7-17)23(25)26/h1-9,18H,10-15H2,(H,21,24)
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19.1n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107214
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-naphthalen-1-yl-urea...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H25N3O/c27-23(25-22-12-6-10-19-9-4-5-11-21(19)22)24-20-13-15-26(16-14-20)17-18-7-2-1-3-8-18/h1-12,20H,13-17H2,(H2,24,25,27)
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22.7n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107213
PNG
(CHEMBL136677 | N-(1-Naphthalen-2-ylmethyl-piperidi...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H26N2O/c27-24(17-19-6-2-1-3-7-19)25-23-12-14-26(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-11,16,23H,12-15,17-18H2,(H,25,27)
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23.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107200
PNG
(CHEMBL136275 | N-(1-Phenethyl-piperidin-4-yl)-2-ph...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c24-21(17-19-9-5-2-6-10-19)22-20-12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,22,24)
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31.3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107217
PNG
(CHEMBL139922 | N-(1-Benzyl-piperidin-4-yl)-2-(5-br...)
Show SMILES Brc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H24BrN3O/c23-18-6-7-21-20(13-18)17(14-24-21)12-22(27)25-19-8-10-26(11-9-19)15-16-4-2-1-3-5-16/h1-7,13-14,19,24H,8-12,15H2,(H,25,27)
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51.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107215
PNG
(CHEMBL134856 | N-(1-Benzyl-piperidin-4-yl)-2-napht...)
Show SMILES O=C(Cc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N2O/c27-24(17-20-10-11-21-8-4-5-9-22(21)16-20)25-23-12-14-26(15-13-23)18-19-6-2-1-3-7-19/h1-11,16,23H,12-15,17-18H2,(H,25,27)
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61.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107196
PNG
(2-Phenyl-N-[1-(4-trifluoromethyl-benzyl)-piperidin...)
Show SMILES FC(F)(F)c1ccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-6-17(7-9-18)15-26-12-10-19(11-13-26)25-20(27)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,25,27)
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87.0n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107220
PNG
(CHEMBL442408 | N-(1-Benzyl-piperidin-4-yl)-2-(5-me...)
Show SMILES COc1ccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C23H27N3O2/c1-28-20-7-8-22-21(14-20)18(15-24-22)13-23(27)25-19-9-11-26(12-10-19)16-17-5-3-2-4-6-17/h2-8,14-15,19,24H,9-13,16H2,1H3,(H,25,27)
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125n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107207
PNG
(2-Phenyl-N-[1-(3-trifluoromethyl-benzyl)-piperidin...)
Show SMILES FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-4-7-17(13-18)15-26-11-9-19(10-12-26)25-20(27)14-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,25,27)
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141n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107191
PNG
(CHEMBL344873 | N-(1-Benzyl-piperidin-4-yl)-2-(pyri...)
Show SMILES O=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H22N4OS/c23-17(14-24-18-19-9-4-10-20-18)21-16-7-11-22(12-8-16)13-15-5-2-1-3-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,21,23)
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150n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107204
PNG
(CHEMBL138894 | N-(1-Benzyl-piperidin-4-yl)-2-pyrid...)
Show SMILES O=C(Cc1ccccn1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(14-18-8-4-5-11-20-18)21-17-9-12-22(13-10-17)15-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2,(H,21,23)
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236n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107192
PNG
(CHEMBL138393 | N-(1-Benzyl-piperidin-4-yl)-2-(1H-i...)
Show SMILES O=C(Cc1cnc[nH]1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H22N4O/c22-17(10-16-11-18-13-19-16)20-15-6-8-21(9-7-15)12-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H,18,19)(H,20,22)
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248n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107228
PNG
(CHEMBL137606 | N-(1-Benzyl-piperidin-4-yl)-2-pyrid...)
Show SMILES O=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(13-17-7-4-10-20-14-17)21-18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2,(H,21,23)
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269n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107205
PNG
(CHEMBL136989 | N-(1-Benzyl-piperidin-4-yl)-2-pyrid...)
Show SMILES O=C(Cc1ccncc1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O/c23-19(14-16-6-10-20-11-7-16)21-18-8-12-22(13-9-18)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23)
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298n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107218
PNG
(CHEMBL138932 | N-(1-Benzyl-piperidin-4-yl)-2-(6-me...)
Show SMILES COc1ccc2C(=O)CC(CC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C24H28N2O3/c1-29-20-7-8-21-22(15-20)18(13-23(21)27)14-24(28)25-19-9-11-26(12-10-19)16-17-5-3-2-4-6-17/h2-8,15,18-19H,9-14,16H2,1H3,(H,25,28)
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299n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107206
PNG
(CHEMBL343927 | N-[1-(2-Iodo-benzyl)-piperidin-4-yl...)
Show SMILES Ic1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23IN2O/c21-19-9-5-4-8-17(19)15-23-12-10-18(11-13-23)22-20(24)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24)
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347n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107233
PNG
(2-Phenyl-N-[1-(2-trifluoromethyl-benzyl)-piperidin...)
Show SMILES FC(F)(F)c1ccccc1CN1CCC(CC1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)19-9-5-4-8-17(19)15-26-12-10-18(11-13-26)25-20(27)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,25,27)
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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
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107193
PNG
(CHEMBL136163 | N-(1-Benzyl-piperidin-4-yl)-2-(7-hy...)
Show SMILES O=C(CC1=CC(=O)OC2CC(=O)C=CC12)NC1CCN(Cc2ccccc2)CC1 |c:12,t:3|
Show InChI InChI=1S/C23H26N2O4/c26-19-6-7-20-17(13-23(28)29-21(20)14-19)12-22(27)24-18-8-10-25(11-9-18)15-16-4-2-1-3-5-16/h1-7,13,18,20-21H,8-12,14-15H2,(H,24,27)
PDB

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antibodypedia
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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
Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand


J Med Chem 44: 4404-15 (2001)


BindingDB Entry DOI: 10.7270/Q2S46R7N
More data for this
Ligand-Target Pair