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10 similar compounds to monomer 50082832

Compile data set for download or QSAR
Wt: 225.3
BDBM35933
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Wt: 239.3
BDBM35934
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Wt: 161.2
BDBM50007408
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Wt: 279.4
BDBM50047020
Wt: 293.4
BDBM50062600
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Wt: 293.4
BDBM50082836
Wt: 175.2
BDBM50379801
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Wt: 175.2
BDBM50379804
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Wt: 329.4
BDBM50386755

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 35933,35934,50007408,50047020,50062600,50082836,50379801,50379804,50386755   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50047020
PNG
(1-Isopropyl-4,4-diphenyl-piperidine (prodipine) | ...)
Show SMILES CC(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H25N/c1-17(2)21-15-13-20(14-16-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
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PubMed
4.80n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory constant for cytochrome P450 2D6


J Med Chem 36: 1136-45 (1993)


Article DOI: 10.1021/jm00061a004
BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35933
PNG
(diphenylalkylamine (DPA), 5b)
Show SMILES CNCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
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64 -9.81n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...


Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35934
PNG
(diphenylalkylamine (DPA), 5c)
Show SMILES CN(C)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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75 -9.71n/an/an/an/an/an/a25



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...


Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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440n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Eur J Pharmacol 168: 387-92 (1989)


BindingDB Entry DOI: 10.7270/Q23R0RC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35933
PNG
(diphenylalkylamine (DPA), 5b)
Show SMILES CNCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
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PubMed
1.50E+3 -7.89n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...


Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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1.52E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain


J Med Chem 31: 1968-71 (1988)


Article DOI: 10.1021/jm00118a018
BindingDB Entry DOI: 10.7270/Q2F18XR2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35934
PNG
(diphenylalkylamine (DPA), 5c)
Show SMILES CN(C)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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1.64E+3 -7.84n/an/an/an/an/a7.423



Virginia Commonwealth University



Assay Description
Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...


Bioorg Med Chem 17: 6496-504 (2009)


Article DOI: 10.1016/j.bmc.2009.08.016
BindingDB Entry DOI: 10.7270/Q2QJ7FN6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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1.98E+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 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
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3.13E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379804
PNG
(CHEMBL2011547)
Show SMILES Cc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50062600
PNG
(1-tert-Butyl-4,4-diphenyl-piperidine | Budipine | ...)
Show SMILES CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50062600
PNG
(1-tert-Butyl-4,4-diphenyl-piperidine | Budipine | ...)
Show SMILES CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
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))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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>1.00E+4n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386755
PNG
(CHEMBL2046889)
Show SMILES C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27N/c1-4-11-21(12-5-1)13-10-19-25-20-18-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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n/an/a 15.8n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386755
PNG
(CHEMBL2046889)
Show SMILES C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27N/c1-4-11-21(12-5-1)13-10-19-25-20-18-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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n/an/a 17n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50062600
PNG
(1-tert-Butyl-4,4-diphenyl-piperidine | Budipine | ...)
Show SMILES CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
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n/an/a 851n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


Article DOI: 10.1021/jm00126a013
BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in CHO cells by fluorescence based calcium mobilization assay


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50082836
PNG
(4,4-Bis-(3,5-dimethyl-phenyl)-piperidine | CHEMBL1...)
Show SMILES Cc1cc(C)cc(c1)C1(CCNCC1)c1cc(C)cc(C)c1
Show InChI InChI=1S/C21H27N/c1-15-9-16(2)12-19(11-15)21(5-7-22-8-6-21)20-13-17(3)10-18(4)14-20/h9-14,22H,5-8H2,1-4H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Opioid receptor mu 1 using [3H]-DAMGO ligand


J Med Chem 42: 4778-93 (1999)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair