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45 similar compounds to monomer 50000066

Compile data set for download or QSAR
Wt: 315.2
BDBM50000065
Wt: 315.2
BDBM50000067
Wt: 315.2
BDBM50000068
Wt: 301.2
BDBM50000069
Purchase
Wt: 303.2
BDBM50000070
Wt: 275.2
BDBM50000071
Purchase
Wt: 329.3
BDBM50000076
Wt: 343.3
BDBM50000077
Wt: 287.2
BDBM50000079
Wt: 315.2
BDBM50000080
Wt: 261.1
BDBM50000086
Wt: 347.2
BDBM50000769
Wt: 355.3
BDBM50003743
Wt: 315.2
BDBM50003744
Wt: 327.2
BDBM50003745
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50000065,50000067,50000068,50000069,50000070,50000071,50000076,50000077,50000079,50000080,50000086,50000769,50003743,50003744,50003745   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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)


Article DOI: 10.1021/jm00079a004
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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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)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
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 on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in rat brain, using [3H](+)-3-PPP as radioligand


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against [3H]-3-PPP labelled sigma sites


J Med Chem 37: 1214-9 (1994)


Article DOI: 10.1021/jm00034a020
BindingDB Entry DOI: 10.7270/Q29P30QV
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)


Article DOI: 10.1021/jm00090a012
BindingDB Entry DOI: 10.7270/Q24B31ZD
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)


Article DOI: 10.1021/jm00079a004
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)


Article DOI: 10.1021/jm00090a012
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)


Article DOI: 10.1021/jm00079a004
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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0.700n/an/an/an/an/an/an/an/a



The George Washington University Medical Center

Curated by ChEMBL


Assay Description
Inhibition Constant for 4-[125I]-IPBS binding to sigma 1 receptor in guinea pig brain membranes


J Med Chem 41: 2445-50 (1998)


Article DOI: 10.1021/jm9800447
BindingDB Entry DOI: 10.7270/Q27P8XHM
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)


Article DOI: 10.1021/jm00079a004
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)


Article DOI: 10.1021/jm00079a004
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)


Article DOI: 10.1021/jm00090a012
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)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
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)


Article DOI: 10.1021/jm00079a004
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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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)


Article DOI: 10.1021/jm00114a015
BindingDB Entry DOI: 10.7270/Q2VX0FGB
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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
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)


Article DOI: 10.1021/jm00079a004
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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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)


Article DOI: 10.1016/s0960-894x(02)01034-x
BindingDB Entry DOI: 10.7270/Q2JQ10C4
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)


Article DOI: 10.1021/jm00114a015
BindingDB Entry DOI: 10.7270/Q2VX0FGB
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))
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)


Article DOI: 10.1021/jm00101a011
BindingDB Entry DOI: 10.7270/Q2PN94MH
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
Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined


J Med Chem 36: 2311-20 (1993)


Article DOI: 10.1021/jm00068a007
BindingDB Entry DOI: 10.7270/Q2RF5VNP
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 was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


Article DOI: 10.1021/jm00057a006
BindingDB Entry DOI: 10.7270/Q2DV1KH3
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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2.20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against sigma 1 opioid receptor using 3[H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 10: 17-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00590-9
BindingDB Entry DOI: 10.7270/Q28051VM
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)


Article DOI: 10.1021/jm00101a011
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)


Article DOI: 10.1021/jm00101a011
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)


Article DOI: 10.1021/jm00079a004
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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7.80n/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)


Article DOI: 10.1021/jm00101a011
BindingDB Entry DOI: 10.7270/Q2PN94MH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000077
PNG
(Butyl-[2-(3,4-dichloro-phenyl)-ethyl]-(2-pyrrolidi...)
Show SMILES CCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H28Cl2N2/c1-2-3-9-22(14-13-21-10-4-5-11-21)12-8-16-6-7-17(19)18(20)15-16/h6-7,15H,2-5,8-14H2,1H3
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12n/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)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.11E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-sulpiride from dopamine receptor D2 in rat brain


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.11E+3n/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 Dopamine receptor D2 from rat brain, using [3H](-)-sulpiride as radioligand.


J Med Chem 35: 2221-30 (1992)


Article DOI: 10.1021/jm00090a012
BindingDB Entry DOI: 10.7270/Q24B31ZD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.21E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-sulpiride from dopamine receptor D2 in rat brain


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.67E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-sulpiride from dopamine receptor D2 in rat brain


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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3.01E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-sulpiride from dopamine receptor D2 in rat brain


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.12E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-sulpiride from dopamine receptor D2 in rat brain


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
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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n/an/a 2n/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)


Article DOI: 10.1021/jm00173a030
BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair