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4 similar compounds to monomer 50008585

Compile data set for download or QSAR
Wt: 279.4
BDBM50007676
Wt: 203.3
BDBM50109384
Wt: 189.2
BDBM50109389
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Wt: 404.6
BDBM50412476

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50007676,50109384,50109389,50412476   
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
OPIATE Sigma


(RAT)
BDBM50109384
PNG
(3-Methyl-1-phenethyl-piperidine | CHEMBL144552)
Show SMILES CC1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C14H21N/c1-13-6-5-10-15(12-13)11-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
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4.20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound for sigma-1 receptor by displacing [3H]-(+) pentazocine


Bioorg Med Chem Lett 12: 497-500 (2002)


Article DOI: 10.1016/s0960-894x(01)00788-0
BindingDB Entry DOI: 10.7270/Q2CN7365
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50412476
PNG
(CHEMBL459542)
Show SMILES CC1CCN(CCc2ccc(cc2)-c2ccc(CCN3CCC(C)CC3)cc2)CC1
Show InChI InChI=1S/C28H40N2/c1-23-11-17-29(18-12-23)21-15-25-3-7-27(8-4-25)28-9-5-26(6-10-28)16-22-30-19-13-24(2)14-20-30/h3-10,23-24H,11-22H2,1-2H3
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16.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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22n/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
OPIATE Sigma


(RAT)
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum


Eur J Med Chem 43: 1304-8 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.026
BindingDB Entry DOI: 10.7270/Q2W37W3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412476
PNG
(CHEMBL459542)
Show SMILES CC1CCN(CCc2ccc(cc2)-c2ccc(CCN3CCC(C)CC3)cc2)CC1
Show InChI InChI=1S/C28H40N2/c1-23-11-17-29(18-12-23)21-15-25-3-7-27(8-4-25)28-9-5-26(6-10-28)16-22-30-19-13-24(2)14-20-30/h3-10,23-24H,11-22H2,1-2H3
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55.0n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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89n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound for sigma-1 receptor by displacing [3H]-(+) pentazocine


Bioorg Med Chem Lett 12: 497-500 (2002)


Article DOI: 10.1016/s0960-894x(01)00788-0
BindingDB Entry DOI: 10.7270/Q2CN7365
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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309n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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309n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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595n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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1.76E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C 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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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1.21E+5n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis


Bioorg Med Chem 19: 7482-92 (2011)


Article DOI: 10.1016/j.bmc.2011.10.038
BindingDB Entry DOI: 10.7270/Q2FX79W0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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3.68E+6n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot an...


Bioorg Med Chem 19: 7482-92 (2011)


Article DOI: 10.1016/j.bmc.2011.10.038
BindingDB Entry DOI: 10.7270/Q2FX79W0
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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n/an/a 347n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor


J Med Chem 34: 3085-90 (1991)


Article DOI: 10.1021/jm00114a018
BindingDB Entry DOI: 10.7270/Q2FN155W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


Article DOI: 10.1021/jm0201767
BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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n/an/a 1.10E+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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


Article DOI: 10.1021/jm0201767
BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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n/an/a 7.62E+5n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in insect cells using benzylamine hydrochloride as substrate after 30 mins


Bioorg Med Chem 19: 7482-92 (2011)


Article DOI: 10.1016/j.bmc.2011.10.038
BindingDB Entry DOI: 10.7270/Q2FX79W0
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50109389
PNG
(1-Phenethyl-piperidine | 1-phenethylpiperidine | C...)
Show SMILES C(Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
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n/an/a 7.57E+5n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate after 60 mins


Bioorg Med Chem 19: 7482-92 (2011)


Article DOI: 10.1016/j.bmc.2011.10.038
BindingDB Entry DOI: 10.7270/Q2FX79W0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50007676
PNG
(4-Benzyl-1-phenethyl-piperidine | CHEMBL18222 | CH...)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
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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