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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50003538   
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 7


(Homo sapiens (Human))
BDBM50403759
PNG
(CHEMBL428494)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
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1.90n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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2.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403770
PNG
(CHEMBL12427)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)
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3.30n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403768
PNG
(CHEMBL273246)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1C#N)c23
Show InChI InChI=1S/C26H30N4O/c27-19-21-7-1-2-11-23(21)30-17-15-29(16-18-30)14-4-3-12-26-13-6-9-20-8-5-10-22(24(20)26)28-25(26)31/h1-2,5,7-8,10-11H,3-4,6,9,12-18H2,(H,28,31)
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3.80n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403777
PNG
(CHEMBL12702)
Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)
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5.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50130272
PNG
(2a-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2a,3,4,5-t...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C24H29N3O/c28-23-24(12-5-8-19-7-4-11-21(25-23)22(19)24)13-6-14-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-4,7,9-11H,5-6,8,12-18H2,(H,25,28)
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5.20n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403772
PNG
(CHEMBL268921)
Show SMILES O=C1Nc2cccc3CCCC1(CCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C23H27N3O/c27-22-23(11-5-7-18-6-4-10-20(24-22)21(18)23)12-13-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10H,5,7,11-17H2,(H,24,27)
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5.40n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50130272
PNG
(2a-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2a,3,4,5-t...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C24H29N3O/c28-23-24(12-5-8-19-7-4-11-21(25-23)22(19)24)13-6-14-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-4,7,9-11H,5-6,8,12-18H2,(H,25,28)
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16n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403770
PNG
(CHEMBL12427)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)
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43n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403759
PNG
(CHEMBL428494)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
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54n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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98n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403772
PNG
(CHEMBL268921)
Show SMILES O=C1Nc2cccc3CCCC1(CCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C23H27N3O/c27-22-23(11-5-7-18-6-4-10-20(24-22)21(18)23)12-13-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10H,5,7,11-17H2,(H,24,27)
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102n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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105n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]spiperone binding from Dopamine receptor D2 in rat striatum.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403768
PNG
(CHEMBL273246)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1C#N)c23
Show InChI InChI=1S/C26H30N4O/c27-19-21-7-1-2-11-23(21)30-17-15-29(16-18-30)14-4-3-12-26-13-6-9-20-8-5-10-22(24(20)26)28-25(26)31/h1-2,5,7-8,10-11H,3-4,6,9,12-18H2,(H,28,31)
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105n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403777
PNG
(CHEMBL12702)
Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)
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112n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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170n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]8-OH-DPAT binding from human 5-hydroxytryptamine 1A receptor in mammalian cells


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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525n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]LSD binding from human recombinant 5-hydroxytryptamine 6 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50403783
PNG
(CHEMBL273890)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)C1CCCCC1)c23
Show InChI InChI=1S/C25H37N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h6,8,12,21H,1-5,7,9-11,13-19H2,(H,26,29)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403783
PNG
(CHEMBL273890)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)C1CCCCC1)c23
Show InChI InChI=1S/C25H37N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h6,8,12,21H,1-5,7,9-11,13-19H2,(H,26,29)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]GR-113808 binding from 5-hydroxytryptamine 4 receptor in guinea pig striatum.


J Med Chem 42: 533-5 (1999)


Article DOI: 10.1021/jm980519u
BindingDB Entry DOI: 10.7270/Q2X63QPV
More data for this
Ligand-Target Pair