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20 similar compounds to monomer 50026917

Compile data set for download or QSAR
Wt: 385.4
BDBM50026916
Wt: 413.5
BDBM50026926
Wt: 399.5
BDBM50026939
Wt: 357.4
BDBM50034281
Wt: 359.5
BDBM50034286
Wt: 331.4
BDBM50034295
Purchase
Wt: 385.5
BDBM50034308
Wt: 345.4
BDBM50056034
Purchase
Wt: 425.6
BDBM50083306
Wt: 383.5
BDBM50083308
Wt: 429.5
BDBM50142640
Wt: 371.4
BDBM50143718
Wt: 413.5
BDBM50143660
Wt: 442.5
BDBM50143663
Wt: 400.5
BDBM50143699
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50026916,50026926,50026939,50034281,50034286,50034295,50034308,50056034,50083306,50083308,50142640,50143718,50143660,50143663,50143699   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034281
PNG
(Bicyclo[2.2.1]heptane-2-carboxylic acid {2-[4-(2-m...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2C3)CC1
Show InChI InChI=1/C21H31N3O2/c1-26-20-5-3-2-4-19(20)24-12-10-23(11-13-24)9-8-22-21(25)18-15-16-6-7-17(18)14-16/h2-5,16-18H,6-15H2,1H3,(H,22,25)
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0.120n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.


J Med Chem 38: 1273-7 (1995)


Article DOI: 10.1021/jm00008a005
BindingDB Entry DOI: 10.7270/Q2H9947K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034308
PNG
(Bicyclo[2.2.1]heptane-2-carboxylic acid {4-[4-(2-m...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CCC2C3)CC1
Show InChI InChI=1/C23H35N3O2/c1-28-22-7-3-2-6-21(22)26-14-12-25(13-15-26)11-5-4-10-24-23(27)20-17-18-8-9-19(20)16-18/h2-3,6-7,18-20H,4-5,8-17H2,1H3,(H,24,27)
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0.230n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.


J Med Chem 38: 1273-7 (1995)


Article DOI: 10.1021/jm00008a005
BindingDB Entry DOI: 10.7270/Q2H9947K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083308
PNG
(CHEMBL555379 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1
Show InChI InChI=1S/C23H33N3O2/c1-28-21-5-3-2-4-20(21)26-10-8-25(9-11-26)7-6-24-22(27)23-15-17-12-18(16-23)14-19(23)13-17/h2-5,17-19H,6-16H2,1H3,(H,24,27)/t17-,18?,19-,23?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50143660
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
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0.540n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056034
PNG
(CHEMBL108229 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C20H31N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,24)
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50143718
PNG
(8-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
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1.36n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034286
PNG
(CHEMBL23904 | Cyclopentanecarboxylic acid {4-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1
Show InChI InChI=1S/C21H33N3O2/c1-26-20-11-5-4-10-19(20)24-16-14-23(15-17-24)13-7-6-12-22-21(25)18-8-2-3-9-18/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H,22,25)
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1.88n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.


J Med Chem 38: 1273-7 (1995)


Article DOI: 10.1021/jm00008a005
BindingDB Entry DOI: 10.7270/Q2H9947K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143660
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143660
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
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3.54n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034295
PNG
(CHEMBL23905 | Cyclopentanecarboxylic acid {2-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CCCC2)CC1
Show InChI InChI=1S/C19H29N3O2/c1-24-18-9-5-4-8-17(18)22-14-12-21(13-15-22)11-10-20-19(23)16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,20,23)
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4.68n/an/an/an/an/an/an/an/a



FAES, S.A.

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.


J Med Chem 38: 1273-7 (1995)


Article DOI: 10.1021/jm00008a005
BindingDB Entry DOI: 10.7270/Q2H9947K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143660
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
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4.97n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026916
PNG
(2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-2-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50143663
PNG
(9-Acetyl-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
Show InChI InChI=1S/C24H34N4O4/c1-19(29)26-9-7-24(8-10-26)17-22(30)28(23(31)18-24)16-13-25-11-14-27(15-12-25)20-5-3-4-6-21(20)32-2/h3-6H,7-18H2,1-2H3
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>10n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083306
PNG
(CHEMBL553024 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1
Show InChI InChI=1S/C26H39N3O2/c1-25-14-20-13-21(15-25)17-26(16-20,19-25)18-24(30)27-7-8-28-9-11-29(12-10-28)22-5-3-4-6-23(22)31-2/h3-6,20-21H,7-19H2,1-2H3,(H,27,30)/t20-,21+,25-,26?
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11n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50143718
PNG
(8-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
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16n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143718
PNG
(8-{2-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29N3O3/c25-18-6-2-1-5-17(18)23-12-9-22(10-13-23)11-14-24-19(26)15-21(16-20(24)27)7-3-4-8-21/h1-2,5-6,25H,3-4,7-16H2
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16.1n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056034
PNG
(CHEMBL108229 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C20H31N3O2/c1-25-19-10-6-5-9-18(19)23-15-13-22(14-16-23)12-11-21-20(24)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,24)
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23n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143699
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-19-5-3-2-4-18(19)25-13-10-24(11-14-25)12-15-26-20(27)16-22(17-21(26)28)6-8-23-9-7-22/h2-5,23H,6-17H2,1H3
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71.7n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026916
PNG
(2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-2-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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254n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143663
PNG
(9-Acetyl-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
Show InChI InChI=1S/C24H34N4O4/c1-19(29)26-9-7-24(8-10-26)17-22(30)28(23(31)18-24)16-13-25-11-14-27(15-12-25)20-5-3-4-6-21(20)32-2/h3-6H,7-18H2,1-2H3
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429n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143699
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-19-5-3-2-4-18(19)25-13-10-24(11-14-25)12-15-26-20(27)16-22(17-21(26)28)6-8-23-9-7-22/h2-5,23H,6-17H2,1H3
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631n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143699
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-19-5-3-2-4-18(19)25-13-10-24(11-14-25)12-15-26-20(27)16-22(17-21(26)28)6-8-23-9-7-22/h2-5,23H,6-17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143663
PNG
(9-Acetyl-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
Show InChI InChI=1S/C24H34N4O4/c1-19(29)26-9-7-24(8-10-26)17-22(30)28(23(31)18-24)16-13-25-11-14-27(15-12-25)20-5-3-4-6-21(20)32-2/h3-6H,7-18H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50143699
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-19-5-3-2-4-18(19)25-13-10-24(11-14-25)12-15-26-20(27)16-22(17-21(26)28)6-8-23-9-7-22/h2-5,23H,6-17H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143663
PNG
(9-Acetyl-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
Show InChI InChI=1S/C24H34N4O4/c1-19(29)26-9-7-24(8-10-26)17-22(30)28(23(31)18-24)16-13-25-11-14-27(15-12-25)20-5-3-4-6-21(20)32-2/h3-6H,7-18H2,1-2H3
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1.52E+3n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026916
PNG
(2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-2-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 92n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026926
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50026926
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50026916
PNG
(2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-2-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50026939
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026939
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


Article DOI: 10.1021/jm00356a014
BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026926
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-8-OH-DPAT from serotonin 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


Bioorg Med Chem Lett 6: 689-694 (1996)


Article DOI: 10.1016/0960-894X(96)00081-9
BindingDB Entry DOI: 10.7270/Q2JH3M5K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026926
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
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n/an/a 2n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay


Bioorg Med Chem Lett 14: 1709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.045
BindingDB Entry DOI: 10.7270/Q2ZW1KB5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50142640
PNG
(8-{3-Hydroxy-4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3
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n/an/a 12n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay


Bioorg Med Chem Lett 14: 1709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.045
BindingDB Entry DOI: 10.7270/Q2ZW1KB5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026939
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C23H33N3O3/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23/h2-3,7-8H,4-6,9-18H2,1H3
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-8-OH-DPAT from serotonin 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


Bioorg Med Chem Lett 6: 689-694 (1996)


Article DOI: 10.1016/0960-894X(96)00081-9
BindingDB Entry DOI: 10.7270/Q2JH3M5K
More data for this
Ligand-Target Pair