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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'herndon' and Initial = 'jl'   
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))
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))
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
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))
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))
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007398
PNG
(4-Phenyl-1-(3-phenyl-propyl)-piperidin-4-ol | 4-ph...)
Show SMILES OC1(CCN(CCCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO/c22-20(19-11-5-2-6-12-19)13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,22H,7,10,13-17H2
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3n/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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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3.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006981
PNG
(CHEMBL19841 | [1-Methyl-2-(3-trifluoromethyl-pheny...)
Show SMILES CC(Cc1cccc(c1)C(F)(F)F)NCCCc1ccccc1
Show InChI InChI=1S/C19H22F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,6,10,12-13H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007397
PNG
(1-(3-Naphthalen-2-yl-propyl)-4-phenyl-piperazine |...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H26N2/c1-2-10-23(11-3-1)25-17-15-24(16-18-25)14-6-7-20-12-13-21-8-4-5-9-22(21)19-20/h1-5,8-13,19H,6-7,14-18H2
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4n/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))
BDBM50007395
PNG
(4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tet...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H24ClN/c22-21-11-9-19(10-12-21)20-13-16-23(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13H,4-5,8,14-17H2
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4.10n/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 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...)
BDBM50004320
PNG
(4-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-1-(4-fluor...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2
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4.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368521
PNG
(CHEMBL1202028)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCNC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C21H24FN3O2/c22-18-8-6-16(7-9-18)20(26)17-10-13-25(14-11-17)15-12-23-21(27)24-19-4-2-1-3-5-19/h1-9,17H,10-15H2,(H2,23,24,27)
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4.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
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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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
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5.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007399
PNG
(1-(4-Phenyl-butyl)-4-(3-trifluoromethyl-phenyl)-pi...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H25F3N2/c22-21(23,24)19-10-6-11-20(17-19)26-15-13-25(14-16-26)12-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-11,17H,4-5,9,12-16H2
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5.40n/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))
BDBM50006982
PNG
(CHEMBL281619 | [2-(3-Bromo-phenyl)-1-methyl-ethyl]...)
Show SMILES CC(Cc1cccc(Br)c1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22BrN/c1-15(13-17-9-5-11-18(19)14-17)20-12-6-10-16-7-3-2-4-8-16/h2-5,7-9,11,14-15,20H,6,10,12-13H2,1H3
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6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006974
PNG
(CHEMBL53253 | [1-Methyl-2-(4-propyl-phenyl)-ethyl]...)
Show SMILES CCCc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H29N/c1-3-8-19-12-14-21(15-13-19)17-18(2)22-16-7-11-20-9-5-4-6-10-20/h4-6,9-10,12-15,18,22H,3,7-8,11,16-17H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006972
PNG
((1-Methyl-2-naphthalen-2-yl-ethyl)-(3-phenyl-propy...)
Show SMILES CC(Cc1ccc2ccccc2c1)NCCCc1ccccc1
Show InChI InChI=1S/C22H25N/c1-18(23-15-7-10-19-8-3-2-4-9-19)16-20-13-14-21-11-5-6-12-22(21)17-20/h2-6,8-9,11-14,17-18,23H,7,10,15-16H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368532
PNG
(CHEMBL1203375)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C22H24FNO2/c23-20-10-8-18(9-11-20)22(26)19-12-15-24(16-13-19)14-4-7-21(25)17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-16H2
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6.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368518
PNG
(CHEMBL1744162)
Show SMILES O=C(C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20(16-6-2-1-3-7-16)17-10-12-24(13-11-17)14-15-25-21(27)18-8-4-5-9-19(18)23-22(25)28/h1-9,17H,10-15H2,(H,23,28)
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6.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007392
PNG
(1-Phenyl-4-(3-phenyl-propyl)-piperazine | CHEMBL11...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H24N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h1-6,8-9,11-12H,7,10,13-17H2
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6.70n/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))
BDBM50006969
PNG
(CHEMBL20768 | [2-(4-Ethoxy-phenyl)-1-methyl-ethyl]...)
Show SMILES CCOc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C20H27NO/c1-3-22-20-13-11-19(12-14-20)16-17(2)21-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007405
PNG
(1-Phenethyl-4-(3-trifluoromethyl-phenyl)-piperazin...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
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7.5n/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))
BDBM50006968
PNG
((3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocycl...)
Show SMILES C(CNC1CCc2ccccc2CC1)Cc1ccccc1
Show InChI InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
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7.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006970
PNG
(CHEMBL293952 | [2-(4-Iodo-phenyl)-1-methyl-ethyl]-...)
Show SMILES CC(Cc1ccc(I)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22IN/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3
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8.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50454090
PNG
(CHEMBL19491)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H22FNO/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/h1-9,18H,10-15H2
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8.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006975
PNG
(CHEMBL19802 | [2-(4-Bromo-phenyl)-1-methyl-ethyl]-...)
Show SMILES CC(Cc1ccc(Br)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H22BrN/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3
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8.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006967
PNG
(CHEMBL53170 | [2-(4-Methoxy-phenyl)-1-methyl-ethyl...)
Show SMILES COc1ccc(CC(C)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H25NO/c1-16(15-18-10-12-19(21-2)13-11-18)20-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3
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9.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006978
PNG
(4-[2-(3-Phenyl-propylamino)-propyl]-phenol | CHEMB...)
Show SMILES CC(Cc1ccc(O)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-15(14-17-9-11-18(20)12-10-17)19-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14H2,1H3
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
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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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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368525
PNG
(CHEMBL1202029)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C23H28FNO/c24-22-12-10-20(11-13-22)23(26)21-14-17-25(18-15-21)16-6-2-5-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,21H,2,5-6,9,14-18H2
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007404
PNG
(1-(3-Chloro-phenyl)-4-phenethyl-piperazine | CHEMB...)
Show SMILES Clc1cccc(c1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
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11n/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 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368517
PNG
(CHEMBL1202023)
Show SMILES Fc1ccc(CC2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c23-18-7-5-16(6-8-18)15-17-9-11-25(12-10-17)13-14-26-21(27)19-3-1-2-4-20(19)24-22(26)28/h1-8,17H,9-15H2,(H,24,28)
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006973
PNG
(CHEMBL298758 | [2-(3,4-Dichloro-phenyl)-1-methyl-e...)
Show SMILES CC(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1
Show InChI InChI=1S/C18H21Cl2N/c1-14(12-16-9-10-17(19)18(20)13-16)21-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,21H,5,8,11-12H2,1H3
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/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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13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory constant against 5-hydroxytryptamine 2 receptor


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368533
PNG
(CHEMBL1202030)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C21H24FNO/c22-20-10-8-18(9-11-20)21(24)19-12-15-23(16-13-19)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-16H2
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368526
PNG
(CHEMBL1202026)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H23FN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006971
PNG
((1-Methyl-2-naphthalen-1-yl-ethyl)-(3-phenyl-propy...)
Show SMILES CC(Cc1cccc2ccccc12)NCCCc1ccccc1
Show InChI InChI=1S/C22H25N/c1-18(23-16-8-11-19-9-3-2-4-10-19)17-21-14-7-13-20-12-5-6-15-22(20)21/h2-7,9-10,12-15,18,23H,8,11,16-17H2,1H3
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18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007412
PNG
(1-(3-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...)
Show SMILES Clc1cccc(c1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2/c20-18-9-4-10-19(16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2
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19n/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))
BDBM50006980
PNG
((3-Phenyl-propyl)-(1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES C(CNC1CCc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C19H23N/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-11,19-20H,6,9,12-15H2
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041261
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041279
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-am...)
Show SMILES C[C@H](Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m1/s1
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368537
PNG
(CHEMBL1202025)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19(22)17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
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25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006976
PNG
(CHEMBL54808 | [2-(4-Benzyloxy-phenyl)-1-methyl-eth...)
Show SMILES CC(Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1
Show InChI InChI=1S/C25H29NO/c1-21(26-18-8-13-22-9-4-2-5-10-22)19-23-14-16-25(17-15-23)27-20-24-11-6-3-7-12-24/h2-7,9-12,14-17,21,26H,8,13,18-20H2,1H3
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27n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50006977
PNG
(CHEMBL55317 | Indan-2-yl-(3-phenyl-propyl)-amine)
Show SMILES C(CNC1Cc2ccccc2C1)Cc1ccccc1
Show InChI InChI=1S/C18H21N/c1-2-7-15(8-3-1)9-6-12-19-18-13-16-10-4-5-11-17(16)14-18/h1-5,7-8,10-11,18-19H,6,9,12-14H2
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27n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to Sigma opioid receptor


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
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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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.


J Med Chem 34: 1855-9 (1991)


Article DOI: 10.1021/jm00110a015
BindingDB Entry DOI: 10.7270/Q2WW7J9Z
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368530
PNG
(CHEMBL1744160)
Show SMILES O=c1[nH]c2ccccc2c(=O)n1CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-14-24-12-10-18(11-13-24)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,27)
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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50n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand


J Med Chem 35: 4903-10 (1993)


Article DOI: 10.1021/jm00104a017
BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007402
PNG
(1-Phenyl-4-propyl-piperazine | 1-Phenyl-4-propylpi...)
Show SMILES CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-8-14-9-11-15(12-10-14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
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74n/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
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