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9 similar compounds to monomer 50006974

Compile data set for download or QSAR
Wt: 253.3
BDBM85392
Wt: 239.3
BDBM50041250
Wt: 239.3
BDBM50041254
Wt: 253.3
BDBM50041261
Wt: 267.4
BDBM50041269
Wt: 253.3
BDBM50041279
Wt: 239.3
BDBM50041245
Wt: 268.3
BDBM50164319
Wt: 177.2
BDBM50368225
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 85392,50041250,50041254,50041261,50041269,50041279,50041245,50164319,50368225   
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))
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


(RAT)
BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol 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))
BDBM85392
PNG
(CAS_131443 | NSC_131443 | PPAP, (-))
Show SMILES CC(Cc1ccccc1)NCCCc1ccccc1
Show InChI InChI=1/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
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7.30n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 251-60 (1999)


BindingDB Entry DOI: 10.7270/Q2R49P9J
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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10.8n/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))
BDBM50041250
PNG
(CHEMBL283775 | Phenethyl-(3-phenyl-propyl)-amine)
Show SMILES C(CNCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H21N/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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11.3n/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))
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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13.6n/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


(RAT)
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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14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol 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))
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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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol 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))
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
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))
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
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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28n/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))
BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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31n/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))
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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39n/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))
BDBM50041245
PNG
(((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m0/s1
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43.7n/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


(RAT)
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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46n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol 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))
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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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))
BDBM50041254
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine | CH...)
Show SMILES C[C@H](Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1
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61n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol 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))
BDBM50368225
PNG
(CHEMBL1907643)
Show SMILES CCCN[C@H](C)Cc1ccccc1
Show InChI InChI=1/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-/s2
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1.64E+3n/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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50164319
PNG
(CHEMBL426457 | N*1*-(1-Methyl-2-phenyl-ethyl)-3-ph...)
Show SMILES CC(Cc1ccccc1)NCC(N)Cc1ccccc1
Show InChI InChI=1/C18H24N2/c1-15(12-16-8-4-2-5-9-16)20-14-18(19)13-17-10-6-3-7-11-17/h2-11,15,18,20H,12-14,19H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension


J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50041250
PNG
(CHEMBL283775 | Phenethyl-(3-phenyl-propyl)-amine)
Show SMILES C(CNCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H21N/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing 1A/2A NMDA receptor subtype


J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50041250
PNG
(CHEMBL283775 | Phenethyl-(3-phenyl-propyl)-amine)
Show SMILES C(CNCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H21N/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2C NMDA receptor


J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50041250
PNG
(CHEMBL283775 | Phenethyl-(3-phenyl-propyl)-amine)
Show SMILES C(CNCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C17H21N/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor


J Med Chem 41: 3499-506 (1998)


Article DOI: 10.1021/jm980235+
BindingDB Entry DOI: 10.7270/Q29Z95MM
More data for this
Ligand-Target Pair