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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50007264   
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 1B


(Homo sapiens (Human))
BDBM50454655
PNG
(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
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6.10n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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12.1n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060516
PNG
(3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...)
Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
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13.6n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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14n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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15n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060517
PNG
(3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyr...)
Show SMILES COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
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16n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060516
PNG
(3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...)
Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
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19n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454655
PNG
(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
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19n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060517
PNG
(3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyr...)
Show SMILES COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
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22.3n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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70.1n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50454655
PNG
(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
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169n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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540n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060516
PNG
(3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...)
Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
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560n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50454655
PNG
(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
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633n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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700n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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842n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50060516
PNG
(3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...)
Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
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>1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50060517
PNG
(3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyr...)
Show SMILES COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060517
PNG
(3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyr...)
Show SMILES COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair