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13 similar compounds to monomer 50041275

Compile data set for download or QSAR
Wt: 177.2
BDBM50016907
Wt: 295.4
BDBM50039200
Wt: 231.3
BDBM50041251
Wt: 177.2
BDBM50041252
Wt: 295.4
BDBM50041255
Wt: 281.4
BDBM50041257
Wt: 217.3
BDBM50041264
Wt: 191.3
BDBM50041272
Purchase
Wt: 281.4
BDBM50041246
Wt: 259.4
BDBM50067017
Wt: 245.4
BDBM50144508
Wt: 335.5
BDBM50246344
Wt: 231.3
BDBM50301395

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50016907,50039200,50041251,50041252,50041255,50041257,50041264,50041272,50041246,50067017,50144508,50246344,50301395   
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-1 receptor


(Cavia porcellus (Guinea pig))
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
Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by scintillation spectrometric method


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
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))
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-1 receptor


(Cavia porcellus (Guinea pig))
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
Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by scintillation spectrometric method


J Med Chem 60: 2605-2628 (2017)

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))
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))
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-1 receptor


(Cavia porcellus (Guinea pig))
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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0.380n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by scintillation spectrometric method


J Med Chem 60: 2605-2628 (2017)

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))
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


(RAT)
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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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041272
PNG
(CHEMBL21023 | Dimethyl-(5-phenyl-pentyl)-amine)
Show SMILES CN(C)CCCCCc1ccccc1
Show InChI InChI=1S/C13H21N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
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11.7n/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


(Homo sapiens (Human))
BDBM50041252
PNG
(CHEMBL19988 | Methyl-(5-phenyl-pentyl)-amine)
Show SMILES CNCCCCCc1ccccc1
Show InChI InChI=1S/C12H19N/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
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418n/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
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50246344
PNG
((2R,6S)-1-methyl-2,6-bis(3-phenylpropyl)piperidine...)
Show SMILES CN1[C@@H](CCCc2ccccc2)CCC[C@H]1CCCc1ccccc1
Show InChI InChI=1S/C24H33N/c1-25-23(17-8-15-21-11-4-2-5-12-21)19-10-20-24(25)18-9-16-22-13-6-3-7-14-22/h2-7,11-14,23-24H,8-10,15-20H2,1H3/t23-,24+
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1.00E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydrotetrabenazine from vesicular monoamine transporter-2 in rat brain synaptosome


Bioorg Med Chem Lett 18: 6509-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.042
BindingDB Entry DOI: 10.7270/Q2NK3DW4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301395
PNG
(1-(4-p-Tolyl-butyl)-piperidine | CHEMBL571073)
Show SMILES Cc1ccc(CCCCN2CCCCC2)cc1
Show InChI InChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3
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3.20E+3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016907
PNG
(CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine)
Show SMILES CN(C)CCCCc1ccccc1
Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
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5.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50016907
PNG
(CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine)
Show SMILES CN(C)CCCCc1ccccc1
Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50016907
PNG
(CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine)
Show SMILES CN(C)CCCCc1ccccc1
Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
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1.00E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


Article DOI: 10.1021/jm00064a004
BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50067017
PNG
(3,3-Dimethyl-1-(5-phenyl-pentyl)-piperidine | CHEM...)
Show SMILES CC1(C)CCCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C18H29N/c1-18(2)13-9-15-19(16-18)14-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3
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n/an/a 5.83E+3n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)


Article DOI: 10.1021/jm970692a
BindingDB Entry DOI: 10.7270/Q2NK3D5Q
More data for this
Ligand-Target Pair