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Compile Data Set for Download or QSAR

Found 300 hits with Last Name = 'radesca' and Initial = 'l'   
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))
BDBM50000066
PNG
((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...)
Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000068
PNG
(CHEMBL142700 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES CN(CCN1CCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-19(11-12-20-8-3-2-4-9-20)10-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3
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0.260n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037480
PNG
((6R,11S)-6,11-Dimethyl-3-pentyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
Show InChI InChI=1S/C19H29NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h7-8,13-14,18,21H,4-6,9-12H2,1-3H3/t14-,18?,19-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000776
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-propyl-piperaz...)
Show SMILES CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3
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0.310n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000069
PNG
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
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0.340n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000069
PNG
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
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0.340n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000078
PNG
((3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-et...)
Show SMILES CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H20Cl2N2/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-13(15)14(16)10-12/h4-5,10H,2-3,6-9,11H2,1H3
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0.380n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000773
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)
Show SMILES FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
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0.390n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000773
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)
Show SMILES FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
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0.390n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007314
PNG
(CHEMBL104834 | [2-(3,4-Dichloro-phenyl)-ethyl]-(2-...)
Show SMILES Clc1ccc(CCN[C@@H]2CCCC[C@@H]2N2CCCC2)cc1Cl
Show InChI InChI=1S/C18H26Cl2N2/c19-15-8-7-14(13-16(15)20)9-10-21-17-5-1-2-6-18(17)22-11-3-4-12-22/h7-8,13,17-18,21H,1-6,9-12H2/t17-,18+/m1/s1
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0.490n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000065
PNG
(CHEMBL141501 | [2-(3,4-Dichloro-phenyl)-ethyl]-eth...)
Show SMILES CCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-2-19(11-12-20-8-3-4-9-20)10-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3
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0.510n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000769
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(5-fluoro-pent...)
Show SMILES FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2
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0.520n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000067
PNG
(CHEMBL347514 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000070
PNG
(CHEMBL143178 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CCN(CC)CCN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H24Cl2N2/c1-4-19(5-2)11-10-18(3)9-8-13-6-7-14(16)15(17)12-13/h6-7,12H,4-5,8-11H2,1-3H3
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0.730n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000080
PNG
(CHEMBL422834 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES C[C@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000074
PNG
(CHEMBL142596 | [2-(3-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
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0.840n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000769
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(5-fluoro-pent...)
Show SMILES FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2
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0.860n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000079
PNG
(CHEMBL142755 | [2-(3,4-Dichloro-phenyl)-ethyl]-(2-...)
Show SMILES Clc1ccc(CCNCCN2CCCC2)cc1Cl
Show InChI InChI=1S/C14H20Cl2N2/c15-13-4-3-12(11-14(13)16)5-6-17-7-10-18-8-1-2-9-18/h3-4,11,17H,1-2,5-10H2
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1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000774
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-iodo-propyl...)
Show SMILES Clc1ccc(CCN2CCN(CCCI)CC2)cc1Cl
Show InChI InChI=1S/C15H21Cl2IN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007316
PNG
((3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-cy...)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C18H26Cl2N2/c1-21(13-14-8-9-15(19)16(20)12-14)17-6-2-3-7-18(17)22-10-4-5-11-22/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Sigma opioid receptor by using [3H]-(+)-3-PPP as radioligand in guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000771
PNG
(CHEMBL71049 | [2-(4,5-Dichloro-2-iodo-phenyl)-ethy...)
Show SMILES CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
Show InChI InChI=1S/C15H21Cl2IN2/c1-19(8-9-20-5-2-3-6-20)7-4-12-10-13(16)14(17)11-15(12)18/h10-11H,2-9H2,1H3
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000771
PNG
(CHEMBL71049 | [2-(4,5-Dichloro-2-iodo-phenyl)-ethy...)
Show SMILES CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
Show InChI InChI=1S/C15H21Cl2IN2/c1-19(8-9-20-5-2-3-6-20)7-4-12-10-13(16)14(17)11-15(12)18/h10-11H,2-9H2,1H3
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1.23n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000774
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-iodo-propyl...)
Show SMILES Clc1ccc(CCN2CCN(CCCI)CC2)cc1Cl
Show InChI InChI=1S/C15H21Cl2IN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000071
PNG
(CHEMBL143360 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003753
PNG
(6,7-Dichloro-2-(2-pyrrolidin-1-yl-ethyl)-1,2,3,4-t...)
Show SMILES Clc1cc2CCN(CCN3CCCC3)Cc2cc1Cl
Show InChI InChI=1S/C15H20Cl2N2/c16-14-9-12-3-6-19(11-13(12)10-15(14)17)8-7-18-4-1-2-5-18/h9-10H,1-8,11H2
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000073
PNG
(Allyl-[2-(3,4-dichloro-phenyl)-ethyl]-(2-pyrrolidi...)
Show SMILES Clc1ccc(CCN(CCN2CCCC2)CC=C)cc1Cl
Show InChI InChI=1S/C17H24Cl2N2/c1-2-8-20(12-13-21-9-3-4-10-21)11-7-15-5-6-16(18)17(19)14-15/h2,5-6,14H,1,3-4,7-13H2
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1.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000076
PNG
(CHEMBL141945 | [2-(3,4-Dichloro-phenyl)-ethyl]-pro...)
Show SMILES CCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-2-8-20(12-13-21-9-3-4-10-21)11-7-15-5-6-16(18)17(19)14-15/h5-6,14H,2-4,7-13H2,1H3
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1.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000085
PNG
(CHEMBL142297 | N*1*-[2-(3,4-Dichloro-phenyl)-ethyl...)
Show SMILES CC(CN(C)CCc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C14H22Cl2N2/c1-11(17(2)3)10-18(4)8-7-12-5-6-13(15)14(16)9-12/h5-6,9,11H,7-8,10H2,1-4H3
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003748
PNG
(CHEMBL342223 | [2-(3,4-Dichloro-phenyl)-ethyl]-(1-...)
Show SMILES CCN1CCCC1CN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-3-20-9-4-5-14(20)12-19(2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000081
PNG
(CHEMBL358109 | [2-(4-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H23ClN2/c1-17(12-13-18-9-2-3-10-18)11-8-14-4-6-15(16)7-5-14/h4-7H,2-3,8-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003754
PNG
((-)-1-[2-(3,4-Dichloro-phenyl)-ethyl]-2-pyrrolidin...)
Show SMILES Clc1ccc(CCN2CCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-21-10-3-4-15(21)13-20-8-1-2-9-20/h5-6,12,15H,1-4,7-11,13H2/t15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000083
PNG
(CHEMBL142336 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES CN(CCCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H24Cl2N2/c1-19(8-4-11-20-9-2-3-10-20)12-7-14-5-6-15(17)16(18)13-14/h5-6,13H,2-4,7-12H2,1H3
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1.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003743
PNG
((-)-[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-pyrr...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m0/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000082
PNG
(CHEMBL142353 | Methyl-(2-naphthalen-2-yl-ethyl)-(2...)
Show SMILES CN(CCN1CCCC1)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C19H26N2/c1-20(14-15-21-11-4-5-12-21)13-10-17-8-9-18-6-2-3-7-19(18)16-17/h2-3,6-9,16H,4-5,10-15H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000069
PNG
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)
Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3
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2.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003750
PNG
(CHEMBL137348 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)C1CCCN(C)C1
Show InChI InChI=1S/C15H22Cl2N2/c1-18-8-3-4-13(11-18)19(2)9-7-12-5-6-14(16)15(17)10-12/h5-6,10,13H,3-4,7-9,11H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007312
PNG
(CHEMBL320828 | [2-(3,4-Dichloro-phenyl)-ethyl]-(2-...)
Show SMILES Clc1ccc(CCN[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
Show InChI InChI=1S/C18H26Cl2N2/c19-15-8-7-14(13-16(15)20)9-10-21-17-5-1-2-6-18(17)22-11-3-4-12-22/h7-8,13,17-18,21H,1-6,9-12H2/t17-,18+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003752
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-pyrrolidin-1-y...)
Show SMILES Clc1ccc(CCN2CCCCC(C2)N2CCCC2)cc1Cl
Show InChI InChI=1S/C18H26Cl2N2/c19-17-7-6-15(13-18(17)20)8-12-21-9-2-1-5-16(14-21)22-10-3-4-11-22/h6-7,13,16H,1-5,8-12,14H2
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2.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007315
PNG
(CHEMBL103065 | [2-(3,4-Dichloro-phenyl)-ethyl]-eth...)
Show SMILES CCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1
Show InChI InChI=1S/C20H30Cl2N2/c1-2-23(14-11-16-9-10-17(21)18(22)15-16)19-7-3-4-8-20(19)24-12-5-6-13-24/h9-10,15,19-20H,2-8,11-14H2,1H3/t19-,20+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibiton of [3H]-(+)-3-PPP binding to sigma of guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007313
PNG
(CHEMBL102695 | [2-(3,4-Dichloro-phenyl)-ethyl]-eth...)
Show SMILES CCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
Show InChI InChI=1S/C20H30Cl2N2/c1-2-23(14-11-16-9-10-17(21)18(22)15-16)19-7-3-4-8-20(19)24-12-5-6-13-24/h9-10,15,19-20H,2-8,11-14H2,1H3/t19-,20+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Sigma opioid receptor by using [3H]-(+)-3-PPP as radioligand in guinea pig brain


J Med Chem 34: 3058-65 (1991)


BindingDB Entry DOI: 10.7270/Q2VX0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003745
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-pyrrolidin-1-y...)
Show SMILES Clc1ccc(CCN2CCCC(C2)N2CCCC2)cc1Cl
Show InChI InChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-20-8-3-4-15(13-20)21-9-1-2-10-21/h5-6,12,15H,1-4,7-11,13H2
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3.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003744
PNG
(CHEMBL342942 | [2-(3,4-Dichloro-phenyl)-ethyl]-met...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)CC1CCCCN1C
Show InChI InChI=1S/C16H24Cl2N2/c1-19(12-14-5-3-4-9-20(14)2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
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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3.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
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4.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000772
PNG
(CHEMBL70861 | [2-(3,4-Dichloro-phenyl)-ethyl]-(3-f...)
Show SMILES FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-11-22(10-3-7-20)13-12-21-8-1-2-9-21/h4-5,14H,1-3,6-13H2
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4.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.


J Med Chem 35: 2221-30 (1992)


BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50003756
PNG
((+)-1-[2-(3,4-Dichloro-phenyl)-ethyl]-2-pyrrolidin...)
Show SMILES Clc1ccc(CCN2CCC[C@@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C17H24Cl2N2/c18-16-6-5-14(12-17(16)19)7-11-21-10-3-4-15(21)13-20-8-1-2-9-20/h5-6,12,15H,1-4,7-11,13H2/t15-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using [3H]-(+)-pentazocine in guinea pig brain homogenates


J Med Chem 35: 4334-43 (1992)


BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000086
PNG
(CHEMBL142406 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CNCCN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H18Cl2N2/c1-15-6-8-16(2)7-5-10-3-4-11(13)12(14)9-10/h3-4,9,15H,5-8H2,1-2H3
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5.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
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