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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50007329   
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))
BDBM50061303
PNG
(2'-Methyl-4'-(5-methyl-4,5-dihydro-[1,2,4]oxadiazo...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
Show InChI InChI=1S/C29H33N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18,20H,13-16H2,1-4H3,(H,30,32)(H,31,35)
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0.140n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454686
PNG
(CHEMBL2112662)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
Show InChI InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061299
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
Show InChI InChI=1S/C28H34N4O2/c1-22-6-3-4-8-26(22)30-16-18-32(19-17-30)28(33)21-34-24-11-10-23-7-5-9-27(25(23)20-24)31-14-12-29(2)13-15-31/h3-11,20H,12-19,21H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454685
PNG
(CHEMBL2112660)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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0.430n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454687
PNG
(CHEMBL2112661)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
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0.430n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
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0.440n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50454685
PNG
(CHEMBL2112660)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50454686
PNG
(CHEMBL2112662)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
Show InChI InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3
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0.550n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
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0.620n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061299
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
Show InChI InChI=1S/C28H34N4O2/c1-22-6-3-4-8-26(22)30-16-18-32(19-17-30)28(33)21-34-24-11-10-23-7-5-9-27(25(23)20-24)31-14-12-29(2)13-15-31/h3-11,20H,12-19,21H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061300
PNG
(1-(7-Methoxy-naphthalen-2-yl)-piperazine | CHEMBL1...)
Show SMILES COc1ccc2ccc(cc2c1)N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061303
PNG
(2'-Methyl-4'-(5-methyl-4,5-dihydro-[1,2,4]oxadiazo...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
Show InChI InChI=1S/C29H33N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18,20H,13-16H2,1-4H3,(H,30,32)(H,31,35)
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0.740n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50454687
PNG
(CHEMBL2112661)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
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0.880n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061304
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
Show InChI InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50061304
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
Show InChI InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061300
PNG
(1-(7-Methoxy-naphthalen-2-yl)-piperazine | CHEMBL1...)
Show SMILES COc1ccc2ccc(cc2c1)N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
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2n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061300
PNG
(1-(7-Methoxy-naphthalen-2-yl)-piperazine | CHEMBL1...)
Show SMILES COc1ccc2ccc(cc2c1)N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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6.20n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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9.20n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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10n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50454685
PNG
(CHEMBL2112660)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3
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12n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
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13.4n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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14.1n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50454686
PNG
(CHEMBL2112662)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
Show InChI InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061299
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
Show InChI InChI=1S/C28H34N4O2/c1-22-6-3-4-8-26(22)30-16-18-32(19-17-30)28(33)21-34-24-11-10-23-7-5-9-27(25(23)20-24)31-14-12-29(2)13-15-31/h3-11,20H,12-19,21H2,1-2H3
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49.5n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061303
PNG
(2'-Methyl-4'-(5-methyl-4,5-dihydro-[1,2,4]oxadiazo...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
Show InChI InChI=1S/C29H33N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18,20H,13-16H2,1-4H3,(H,30,32)(H,31,35)
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71.7n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50454687
PNG
(CHEMBL2112661)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
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114n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50061304
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
Show InChI InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
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117n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061303
PNG
(2'-Methyl-4'-(5-methyl-4,5-dihydro-[1,2,4]oxadiazo...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
Show InChI InChI=1S/C29H33N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18,20H,13-16H2,1-4H3,(H,30,32)(H,31,35)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454686
PNG
(CHEMBL2112662)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
Show InChI InChI=1S/C29H36N4O2/c1-23-6-3-4-7-25(23)21-31-14-18-33(19-15-31)29(34)22-35-26-11-10-24-8-5-9-28(27(24)20-26)32-16-12-30(2)13-17-32/h3-11,20H,12-19,21-22H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454685
PNG
(CHEMBL2112660)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3
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n/an/an/an/a 28n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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n/an/an/an/a 25n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454687
PNG
(CHEMBL2112661)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C31H34N4O2/c1-32-14-16-33(17-15-32)30-11-5-8-25-12-13-26(22-28(25)30)37-23-31(36)35-20-18-34(19-21-35)29-10-4-7-24-6-2-3-9-27(24)29/h2-13,22H,14-21,23H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
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n/an/an/an/a 30n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061299
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
Show InChI InChI=1S/C28H34N4O2/c1-22-6-3-4-8-26(22)30-16-18-32(19-17-30)28(33)21-34-24-11-10-23-7-5-9-27(25(23)20-24)31-14-12-29(2)13-15-31/h3-11,20H,12-19,21H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061304
PNG
(2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
Show InChI InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
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n/an/an/an/a 25n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061300
PNG
(1-(7-Methoxy-naphthalen-2-yl)-piperazine | CHEMBL1...)
Show SMILES COc1ccc2ccc(cc2c1)N1CCNCC1
Show InChI InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair