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PubMed code 8295220

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044047
PNG
(CHEMBL109026 | N-(3,4-Dichloro-benzyl)-N,N'-dimeth...)
Show SMILES CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1
Show InChI InChI=1S/C17H27Cl2N3/c1-20(11-12-22-7-3-4-8-22)9-10-21(2)14-15-5-6-16(18)17(19)13-15/h5-6,13H,3-4,7-12,14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
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 Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
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 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
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 Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
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 Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044056
PNG
(CHEMBL107870 | N-(3,4-Dichloro-benzyl)-N,N'-dimeth...)
Show SMILES CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN1CCCC1
Show InChI InChI=1S/C18H29Cl2N3/c1-21(12-13-23-10-3-4-11-23)8-5-9-22(2)15-16-6-7-17(19)18(20)14-16/h6-7,14H,3-5,8-13,15H2,1-2H3
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8n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044049
PNG
(CHEMBL324620 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CN(CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1
Show InChI InChI=1S/C18H29Cl2N3/c1-21(10-7-16-5-6-17(19)18(20)15-16)11-12-22(2)13-14-23-8-3-4-9-23/h5-6,15H,3-4,7-14H2,1-2H3
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14n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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28n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044055
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-pyrrolidine; hyd...)
Show SMILES Clc1ccc(CCN2CCCC2)cc1Cl
Show InChI InChI=1S/C12H15Cl2N/c13-11-4-3-10(9-12(11)14)5-8-15-6-1-2-7-15/h3-4,9H,1-2,5-8H2
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29n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044050
PNG
(CHEMBL111331 | N-(3,4-Dichloro-benzyl)-N,N'-dimeth...)
Show SMILES CN(CCCN1CCCC1)CCN(C)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H29Cl2N3/c1-21(8-5-11-23-9-3-4-10-23)12-13-22(2)15-16-6-7-17(19)18(20)14-16/h6-7,14H,3-5,8-13,15H2,1-2H3
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30n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044048
PNG
(CHEMBL321702 | N*1*-[2-(3,4-Dichloro-phenyl)-ethyl...)
Show SMILES NCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H25Cl2N3/c17-15-4-3-14(13-16(15)18)5-9-21(10-6-19)12-11-20-7-1-2-8-20/h3-4,13H,1-2,5-12,19H2
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41n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044057
PNG
(CHEMBL107485 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES Clc1ccc(CCNCCNCCN2CCCC2)cc1Cl
Show InChI InChI=1S/C16H25Cl2N3/c17-15-4-3-14(13-16(15)18)5-6-19-7-8-20-9-12-21-10-1-2-11-21/h3-4,13,19-20H,1-2,5-12H2
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54n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044046
PNG
(CHEMBL323476 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN1CCCC1
Show InChI InChI=1S/C20H33Cl2N3/c1-23(12-6-15-25-13-3-4-14-25)10-5-11-24(2)16-9-18-7-8-19(21)20(22)17-18/h7-8,17H,3-6,9-16H2,1-2H3
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78n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044053
PNG
(CHEMBL110099 | {2-[(2-{[2-(3,4-Dichloro-phenyl)-et...)
Show SMILES CN(CCN(C)CCN1CCCC1)CCN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H36Cl2N4/c1-24(11-8-19-6-7-20(22)21(23)18-19)12-13-25(2)14-15-26(3)16-17-27-9-4-5-10-27/h6-7,18H,4-5,8-17H2,1-3H3
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110n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044052
PNG
(CHEMBL107717 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CN(CCCCN1CCCC1)CCCN(C)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H35Cl2N3/c1-24(11-3-4-14-26-15-5-6-16-26)12-7-13-25(2)17-10-19-8-9-20(22)21(23)18-19/h8-9,18H,3-7,10-17H2,1-2H3
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128n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044045
PNG
(CHEMBL107922 | [2-({2-[(2-{[2-(3,4-Dichloro-phenyl...)
Show SMILES CN(CCN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN(C)CCN1CCCC1
Show InChI InChI=1S/C24H43Cl2N5/c1-27(12-9-22-7-8-23(25)24(26)21-22)13-14-28(2)15-16-29(3)17-18-30(4)19-20-31-10-5-6-11-31/h7-8,21H,5-6,9-20H2,1-4H3
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227n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044054
PNG
(CHEMBL107720 | N-(2-Amino-ethyl)-N'-[2-(3,4-dichlo...)
Show SMILES NCCNCCNCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H19Cl2N3/c13-11-2-1-10(9-12(11)14)3-5-16-7-8-17-6-4-15/h1-2,9,16-17H,3-8,15H2
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243n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000084
PNG
(CHEMBL325320 | N*1*-[2-(3,4-Dichloro-phenyl)-ethyl...)
Show SMILES NCCNCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H14Cl2N2/c11-9-2-1-8(7-10(9)12)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2
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390n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50044051
PNG
(CHEMBL108972 | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N...)
Show SMILES CN(CCCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCCN1CCCC1
Show InChI InChI=1S/C22H37Cl2N3/c1-25(13-5-6-15-27-16-7-8-17-27)12-3-4-14-26(2)18-11-20-9-10-21(23)22(24)19-20/h9-10,19H,3-8,11-18H2,1-2H3
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1.12E+3n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand


J Med Chem 37: 314-21 (1994)


Article DOI: 10.1021/jm00028a016
BindingDB Entry DOI: 10.7270/Q20C4WFH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%