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BDBM50773 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol;hydrochloride::1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-ol;hydrochloride::1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride::1-[4-(2-methoxyphenyl)piperazino]-3-(1-naphthoxy)propan-2-ol;hydrochloride::CHEMBL142635::MLS000069363::NAFTOPIDIL DIHYDROCHLORIDE::SMR000058489::cid_4418::cid_6603044

SMILES: COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1

InChI Key: InChIKey=HRRBJVNMSRJFHQ-UHFFFAOYSA-N

Data: 10 KI  8 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50773   
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
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Displacement of [125I-HEAT from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins


Bioorg Med Chem Lett 28: 547-551 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.068
BindingDB Entry DOI: 10.7270/Q2057JHB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Displacement of [125I-HEAT from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins


Bioorg Med Chem Lett 28: 547-551 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.068
BindingDB Entry DOI: 10.7270/Q2057JHB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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3.70n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active


Bioorg Med Chem Lett 15: 657-64 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.032
BindingDB Entry DOI: 10.7270/Q2SN08GW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9379-1
BindingDB Entry DOI: 10.7270/Q2NG4THH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9379-1
BindingDB Entry DOI: 10.7270/Q2NG4THH
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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20n/an/an/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Displacement of [125I-HEAT from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins


Bioorg Med Chem Lett 28: 547-551 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.068
BindingDB Entry DOI: 10.7270/Q2057JHB
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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39n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain


Bioorg Med Chem Lett 10: 465-8 (2000)


BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)


BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung


Bioorg Med Chem Lett 10: 465-8 (2000)


BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex


Bioorg Med Chem Lett 10: 465-8 (2000)


BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 555n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay


Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 634n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay


Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay


Bioorg Med Chem 23: 7735-42 (2015)


Article DOI: 10.1016/j.bmc.2015.11.020
BindingDB Entry DOI: 10.7270/Q2K0779G
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Luoyang Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha 1D adrenergic receptor (unknown origin) by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 1534-1539 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.070
BindingDB Entry DOI: 10.7270/Q2KW5JNW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 555n/an/an/an/an/an/a



Luoyang Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha 1A adrenergic receptor (unknown origin) by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 1534-1539 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.070
BindingDB Entry DOI: 10.7270/Q2KW5JNW
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 634n/an/an/an/an/an/a



Luoyang Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha 1B adrenergic receptor (unknown origin) by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 1534-1539 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.070
BindingDB Entry DOI: 10.7270/Q2KW5JNW
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50773
PNG
(1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
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n/an/an/an/a 3.72E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair