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Compile Data Set for Download or QSAR

Found 460 hits with Last Name = 'ismaiel' and Initial = 'am'   
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))
BDBM50144508
PNG
(4-Methyl-1-(5-phenyl-pentyl)-piperidine | CHEMBL30...)
Show SMILES CC1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C17H27N/c1-16-11-14-18(15-12-16)13-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
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0.0700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144518
PNG
(1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine | CHEM...)
Show SMILES CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3
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0.0900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144512
PNG
(1-(5,5-Diphenyl-pent-4-enyl)-4-methyl-piperidine |...)
Show SMILES CC1CCN(CCCC=C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C23H29N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-14,20H,8-9,15-19H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041259
PNG
(CHEMBL19355 | Phenethyl-(5-phenyl-pentyl)-amine)
Show SMILES C(CCNCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-8-3-9-16-20-17-15-19-13-6-2-7-14-19/h1-2,4-7,10-11,13-14,20H,3,8-9,12,15-17H2
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041259
PNG
(CHEMBL19355 | Phenethyl-(5-phenyl-pentyl)-amine)
Show SMILES C(CCNCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-8-3-9-16-20-17-15-19-13-6-2-7-14-19/h1-2,4-7,10-11,13-14,20H,3,8-9,12,15-17H2
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041268
PNG
(Benzyl-methyl-(5-phenyl-pentyl)-amine | CHEMBL1931...)
Show SMILES CN(CCCCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H25N/c1-20(17-19-14-7-3-8-15-19)16-10-4-9-13-18-11-5-2-6-12-18/h2-3,5-8,11-12,14-15H,4,9-10,13,16-17H2,1H3
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0.190n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against dopamine receptor D2


J Med Chem 36: 2519-25 (1993)


Article DOI: 10.1021/jm00069a010
BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041246
PNG
(CHEMBL19544 | Methyl-phenethyl-(5-phenyl-pentyl)-a...)
Show SMILES CN(CCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-21(18-16-20-14-7-3-8-15-20)17-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15H,4,9-10,13,16-18H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041246
PNG
(CHEMBL19544 | Methyl-phenethyl-(5-phenyl-pentyl)-a...)
Show SMILES CN(CCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-21(18-16-20-14-7-3-8-15-20)17-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15H,4,9-10,13,16-18H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041277
PNG
((5-Cyclohexyl-pentyl)-dimethyl-amine | CHEMBL20036)
Show SMILES CN(C)CCCCCC1CCCCC1
Show InChI InChI=1S/C13H27N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h13H,3-12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041257
PNG
((5-Phenyl-pentyl)-(3-phenyl-propyl)-amine | CHEMBL...)
Show SMILES C(CCNCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-4-11-19(12-5-1)15-8-3-9-17-21-18-10-16-20-13-6-2-7-14-20/h1-2,4-7,11-14,21H,3,8-10,15-18H2
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0.280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041275
PNG
(CHEMBL20348 | Methyl-(5-phenyl-pentyl)-propyl-amin...)
Show SMILES CCCN(C)CCCCCc1ccccc1
Show InChI InChI=1S/C15H25N/c1-3-13-16(2)14-9-5-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041243
PNG
(Benzyl-(5-phenyl-pentyl)-amine | CHEMBL19315)
Show SMILES C(CCNCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h1-2,4-7,10-11,13-14,19H,3,8-9,12,15-16H2
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0.320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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



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))
BDBM50041255
PNG
(CHEMBL19637 | Methyl-(5-phenyl-pentyl)-(3-phenyl-p...)
Show SMILES CN(CCCCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C21H29N/c1-22(19-11-17-21-14-7-3-8-15-21)18-10-4-9-16-20-12-5-2-6-13-20/h2-3,5-8,12-15H,4,9-11,16-19H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50041251
PNG
(1-(5-Phenyl-pentyl)-piperidine | CHEMBL20188)
Show SMILES C(CCN1CCCCC1)CCc1ccccc1
Show InChI InChI=1S/C16H25N/c1-4-10-16(11-5-1)12-6-2-7-13-17-14-8-3-9-15-17/h1,4-5,10-11H,2-3,6-9,12-15H2
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50039200
PNG
((4-Phenyl-butyl)-(5-phenyl-pentyl)-amine | CHEMBL2...)
Show SMILES C(CCNCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C21H29N/c1-4-12-20(13-5-1)16-8-3-10-18-22-19-11-9-17-21-14-6-2-7-15-21/h1-2,4-7,12-15,22H,3,8-11,16-19H2
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50144511
PNG
((5,5-Diphenyl-pentyl)-methyl-phenethyl-amine | CHE...)
Show SMILES CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C26H31N/c1-27(22-20-23-13-5-2-6-14-23)21-12-11-19-26(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-18,26H,11-12,19-22H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041266
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]-OH-DPAT displacement.


J Med Chem 32: 1921-6 (1989)


Article DOI: 10.1021/jm00128a039
BindingDB Entry DOI: 10.7270/Q2J67FWB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144513
PNG
((5,5-Diphenyl-pentyl)-phenethyl-amine | CHEMBL3032...)
Show SMILES C(CCC(c1ccccc1)c1ccccc1)CNCCc1ccccc1
Show InChI InChI=1S/C25H29N/c1-4-12-22(13-5-1)19-21-26-20-11-10-18-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26H,10-11,18-21H2
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0.660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041264
PNG
(1-(5-Phenyl-pentyl)-pyrrolidine | CHEMBL277462)
Show SMILES C(CCN1CCCC1)CCc1ccccc1
Show InChI InChI=1S/C15H23N/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16/h1,3-4,9-10H,2,5-8,11-14H2
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0.760n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50007400
PNG
(4-Phenyl-1-(4-phenyl-butyl)-piperidine | 4-Phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards Sigma opioid receptor in guinea pig brain membranes


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144509
PNG
(4-Methyl-1-{3-[8aH-10lambda*4*-thioxanthen-(9E)-yl...)
Show SMILES CC1CCN(CCC=C2c3ccccc3Sc3ccccc23)CC1
Show InChI InChI=1S/C22H25NS/c1-17-12-15-23(16-13-17)14-6-9-18-19-7-2-4-10-21(19)24-22-11-5-3-8-20(18)22/h2-5,7-11,17H,6,12-16H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041263
PNG
(Benzyl-(5-cyclohexyl-pentyl)-amine | CHEMBL416730)
Show SMILES C(CCNCc1ccccc1)CCC1CCCCC1
Show InChI InChI=1S/C18H29N/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18/h2,6-7,13-14,17,19H,1,3-5,8-12,15-16H2
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0.810n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50144507
PNG
((5,5-Diphenyl-pent-4-enyl)-methyl-phenethyl-amine ...)
Show SMILES CN(CCCC=C(c1ccccc1)c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C26H29N/c1-27(22-20-23-13-5-2-6-14-23)21-12-11-19-26(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-19H,11-12,20-22H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041237
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(5-phenyl-pentyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCCCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50007396
PNG
(4-Phenyl-1-(5-phenyl-pentyl)-piperidine | CHEMBL11...)
Show SMILES C(CCN1CCC(CC1)c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C22H29N/c1-4-10-20(11-5-1)12-6-3-9-17-23-18-15-22(16-19-23)21-13-7-2-8-14-21/h1-2,4-5,7-8,10-11,13-14,22H,3,6,9,12,15-19H2
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0.900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards sigma receptor in guinea pig brain membranes


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortical regions using [3H]ketanserin as radioligand


J Med Chem 36: 2519-25 (1993)


Article DOI: 10.1021/jm00069a010
BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007401
PNG
(1-Phenyl-4-(4-phenyl-butyl)-piperazine | CHEMBL858...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]-8-OH-DPAT as radioligand


J Med Chem 36: 2519-25 (1993)


Article DOI: 10.1021/jm00069a010
BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007393
PNG
(4-Phenyl-1-(3-phenyl-propyl)-piperidine | CHEMBL11...)
Show SMILES C(CN1CCC(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-3-8-18(9-4-1)10-7-15-21-16-13-20(14-17-21)19-11-5-2-6-12-19/h1-6,8-9,11-12,20H,7,10,13-17H2
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards Sigma opioid receptor in guinea pig brain membranes


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144515
PNG
(1-(4,4-Diphenyl-butyl)-4-methyl-piperidine | CHEMB...)
Show SMILES CC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N/c1-19-14-17-23(18-15-19)16-8-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041269
PNG
(CHEMBL20517 | Methyl-((R)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CCCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-17(16-19-12-7-4-8-13-19)20(2)15-9-14-18-10-5-3-6-11-18/h3-8,10-13,17H,9,14-16H2,1-2H3/t17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50144514
PNG
((5,5-Diphenyl-pent-4-enyl)-phenethyl-amine | CHEMB...)
Show SMILES C(CNCCc1ccccc1)CC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N/c1-4-12-22(13-5-1)19-21-26-20-11-10-18-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,26H,10-11,19-21H2
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144503
PNG
((5,5-Diphenyl-pentyl)-diethyl-amine | CHEMBL305461)
Show SMILES CCN(CC)CCCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29N/c1-3-22(4-2)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041273
PNG
(CHEMBL19797 | Phenethyl-(7-phenyl-heptyl)-amine)
Show SMILES C(CCCNCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C21H29N/c1(2-6-12-20-13-7-4-8-14-20)3-11-18-22-19-17-21-15-9-5-10-16-21/h4-5,7-10,13-16,22H,1-3,6,11-12,17-19H2
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
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=1/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+/s2
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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against sigma 1 receptor


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
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144517
PNG
(1-(4,4-Diphenyl-but-3-enyl)-4-methyl-piperidine | ...)
Show SMILES CC1CCN(CCC=C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H27N/c1-19-14-17-23(18-15-19)16-8-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-13,19H,8,14-18H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortical regions using [3H]ketanserin as radioligand


J Med Chem 36: 2519-25 (1993)


Article DOI: 10.1021/jm00069a010
BindingDB Entry DOI: 10.7270/Q2QF8RZ9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041253
PNG
(Benzyl-(7-phenyl-heptyl)-amine | CHEMBL19850)
Show SMILES C(CCCNCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C20H27N/c1(2-6-12-19-13-7-4-8-14-19)3-11-17-21-18-20-15-9-5-10-16-20/h4-5,7-10,13-16,21H,1-3,6,11-12,17-18H2
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2.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


J Med Chem 38: 1196-202 (1995)


Article DOI: 10.1021/jm00007a016
BindingDB Entry DOI: 10.7270/Q2CZ37TG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50368228
PNG
(CHEMBL1907650)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCCCCc1ccccc1
Show InChI InChI=1/C21H29N/c1-19(18-21-15-8-4-9-16-21)22(2)17-11-5-10-14-20-12-6-3-7-13-20/h3-4,6-9,12-13,15-16,19H,5,10-11,14,17-18H2,1-2H3/t19-/s2
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2.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


J Med Chem 34: 1094-8 (1991)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041247
PNG
(CHEMBL280111 | Phenethyl-(4-phenyl-butyl)-amine)
Show SMILES C(CCc1ccccc1)CNCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-3-9-17(10-4-1)13-7-8-15-19-16-14-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
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2.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50007401
PNG
(1-Phenyl-4-(4-phenyl-butyl)-piperazine | CHEMBL858...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2
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2.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards sigma receptor in guinea pig brain membranes using [3H]-DTG as radioligand


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041241
PNG
((1-Benzyl-butyl)-(4-phenyl-butyl)-amine | CHEMBL43...)
Show SMILES CCCC(Cc1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1/C21H29N/c1-2-11-21(18-20-15-7-4-8-16-20)22-17-10-9-14-19-12-5-3-6-13-19/h3-8,12-13,15-16,21-22H,2,9-11,14,17-18H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


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))
BDBM50007409
PNG
(1-Naphthalen-2-yl-4-(3-phenyl-propyl)-piperazine |...)
Show SMILES C(CN1CCN(CC1)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H26N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-5,7-8,10-13,19H,6,9,14-18H2
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2.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards sigma receptor in guinea pig brain membranes using [3H]-DTG as radioligand


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007410
PNG
(1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2
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2.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards sigma receptor in guinea pig brain membranes using [3H]-DTG as radioligand


J Med Chem 34: 3360-5 (1992)


Article DOI: 10.1021/jm00116a003
BindingDB Entry DOI: 10.7270/Q2MC8XZR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034202
PNG
((4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-met...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1/C20H24FNO/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18,20,23H,10-15H2
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


J Med Chem 38: 1196-202 (1995)


Article DOI: 10.1021/jm00007a016
BindingDB Entry DOI: 10.7270/Q2CZ37TG
More data for this
Ligand-Target Pair
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