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4 similar compounds to monomer 50099325

Compile data set for download or QSAR
Wt: 476.5
BDBM50099321
Wt: 462.5
BDBM50099322
Wt: 476.5
BDBM50099323
Wt: 476.5
BDBM50099324

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50099321,50099322,50099323,50099324   
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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0.213n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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0.251n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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0.252n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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0.274n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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0.377n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50099324
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
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0.436n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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0.466n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099324
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
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0.710n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1A adrenergic receptor in rat vas deferens


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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2.60n/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


(Rattus norvegicus (Rat))
BDBM50099324
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099324
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099321
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099324
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-27-25-23(20(18-34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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8.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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9.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099323
PNG
(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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50n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ancillary Binding affinity towards rat Dopamine receptor D2


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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71n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ancillary Binding affinity towards rat alpha-2B receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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75n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ancillary Binding affinity to cloned human Alpha-2C adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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78n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ancillary Binding affinity towards cloned human Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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5.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1B adrenergic receptor in rat spleen


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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6.09E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ancillary Binding affinity to rat Dopamine receptor D1


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair