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PubMed code 12639573

Compile data set for download or QSAR
Found 9 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))
BDBM50125092
PNG
(1-Benzyl-4-(3-methoxy-benzyl)-piperazine | CHEMBL1...)
Show SMILES COc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-5-8-18(14-19)16-21-12-10-20(11-13-21)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3
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PubMed
0.390n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125098
PNG
(1-Benzyl-4-(3-chloro-benzyl)-piperazine | CHEMBL16...)
Show SMILES Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C18H21ClN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
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0.460n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125099
PNG
(1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...)
Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125093
PNG
(1-Benzyl-4-(3,4-dichloro-benzyl)-piperazine | CHEM...)
Show SMILES Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl
Show InChI InChI=1S/C18H20Cl2N2/c19-17-7-6-16(12-18(17)20)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
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0.580n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125095
PNG
(1-Benzyl-4-(4-chloro-benzyl)-piperazine | CHEMBL16...)
Show SMILES Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H21ClN2/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
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1.40n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
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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2n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125094
PNG
(1-Benzyl-4-(2-chloro-benzyl)-piperazine | CHEMBL34...)
Show SMILES Clc1ccccc1CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H21ClN2/c19-18-9-5-4-8-17(18)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-9H,10-15H2
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5.30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125096
PNG
(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)
Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
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5.80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50125097
PNG
(1-Benzyl-4-(2,4-dichloro-benzyl)-piperazine | CHEM...)
Show SMILES Clc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-17-7-6-16(18(20)12-17)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
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PubMed
7.60n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma-1 receptor


Bioorg Med Chem Lett 13: 749-51 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10C4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%