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PubMed code 16458504

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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109n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to alpha 2C adrenergic receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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180n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 opioid receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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228n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to alpha 2A adrenergic receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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328n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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378n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to alpha 1B adrenergic receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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413n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to alpha 1A adrenergic receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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839n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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2.10E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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2.13E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to D2 dopamine receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to MDR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to hERG by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to NET by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A4 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to BZP receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to KOR by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to DAT by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT5A receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to SERT by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to M receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1E receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to D5 dopamine receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to DOR by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Low affinity neurotrophin receptor p75NTR


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to NT by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to D3 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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n/an/an/an/a 0.300n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTPgammaS binding to human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.700n/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTPgammaS binding to human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%