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PubMed code 17419056

Compile data set for download or QSAR
Found 16 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 7


(Homo sapiens (Human))		BDBM50170158
PNG
(1-(2-Methoxy-phenyl)-4-(1-o-tolyl-1H-pyrrol-3-ylme...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C)CC1
Show InChI InChI=1S/C23H27N3O/c1-19-7-3-4-8-21(19)26-12-11-20(18-26)17-24-13-15-25(16-14-24)22-9-5-6-10-23(22)27-2/h3-12,18H,13-17H2,1-2H3
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PubMed
 4.70n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50170156
PNG
(2-(3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C#N)CC1
Show InChI InChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3
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PubMed
 5.40n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50210122
PNG
(CHEMBL234881 | [2-(2',6'-dimethyl-biphenyl-3-yl)-e...)
Show SMILES CN(C)CCc1cccc(c1)-c1c(C)cccc1C
Show InChI InChI=1S/C18H23N/c1-14-7-5-8-15(2)18(14)17-10-6-9-16(13-17)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3
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PubMed
 6.20n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50210124
PNG
(2-(2'-methyl-biphenyl-3-yl)-ethylamine | CHEMBL234...)
Show SMILES Cc1ccccc1-c1cccc(CCN)c1
Show InChI InChI=1S/C15H17N/c1-12-5-2-3-8-15(12)14-7-4-6-13(11-14)9-10-16/h2-8,11H,9-10,16H2,1H3
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PubMed
 7.5n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50210123
PNG
(CHEMBL395870 | N,N-dimethyl-2-(2'-methylbiphenyl-3...)
Show SMILES CN(C)CCc1cccc(c1)-c1ccccc1C
Show InChI InChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
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PubMed
 7.60n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50210126
PNG
(CHEMBL232792 | [2-(2'-methoxy-biphenyl-3-yl)-ethyl...)
Show SMILES COc1ccccc1-c1cccc(CCN(C)C)c1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-11-14-7-6-8-15(13-14)16-9-4-5-10-17(16)19-3/h4-10,13H,11-12H2,1-3H3
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PubMed
 8.40n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50210125
PNG
(CHEMBL232791 | [2-(2',6'-dimethoxy-biphenyl-3-yl)-...)
Show SMILES COc1cccc(OC)c1-c1cccc(CCN(C)C)c1
Show InChI InChI=1S/C18H23NO2/c1-19(2)12-11-14-7-5-8-15(13-14)18-16(20-3)9-6-10-17(18)21-4/h5-10,13H,11-12H2,1-4H3
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 8.60n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50170158
PNG
(1-(2-Methoxy-phenyl)-4-(1-o-tolyl-1H-pyrrol-3-ylme...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C)CC1
Show InChI InChI=1S/C23H27N3O/c1-19-7-3-4-8-21(19)26-12-11-20(18-26)17-24-13-15-25(16-14-24)22-9-5-6-10-23(22)27-2/h3-12,18H,13-17H2,1-2H3
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 9.90n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50170159
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-p...)
Show SMILES COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C25H29N3O3/c1-19-7-6-8-21(25(29)31-3)24(19)28-12-11-20(18-28)17-26-13-15-27(16-14-26)22-9-4-5-10-23(22)30-2/h4-12,18H,13-17H2,1-3H3
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 18n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 in sf9 cells

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50170159
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-p...)
Show SMILES COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C25H29N3O3/c1-19-7-6-8-21(25(29)31-3)24(19)28-12-11-20(18-28)17-26-13-15-27(16-14-26)22-9-4-5-10-23(22)30-2/h4-12,18H,13-17H2,1-3H3
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 18.5n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50170156
PNG
(2-(3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-1...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C#N)CC1
Show InChI InChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3
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 33.7n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50210123
PNG
(CHEMBL395870 | N,N-dimethyl-2-(2'-methylbiphenyl-3...)
Show SMILES CN(C)CCc1cccc(c1)-c1ccccc1C
Show InChI InChI=1S/C17H21N/c1-14-7-4-5-10-17(14)16-9-6-8-15(13-16)11-12-18(2)3/h4-10,13H,11-12H2,1-3H3
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 443n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50210126
PNG
(CHEMBL232792 | [2-(2'-methoxy-biphenyl-3-yl)-ethyl...)
Show SMILES COc1ccccc1-c1cccc(CCN(C)C)c1
Show InChI InChI=1S/C17H21NO/c1-18(2)12-11-14-7-6-8-15(13-14)16-9-4-5-10-17(16)19-3/h4-10,13H,11-12H2,1-3H3
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 531n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50210124
PNG
(2-(2'-methyl-biphenyl-3-yl)-ethylamine | CHEMBL234...)
Show SMILES Cc1ccccc1-c1cccc(CCN)c1
Show InChI InChI=1S/C15H17N/c1-12-5-2-3-8-15(12)14-7-4-6-13(11-14)9-10-16/h2-8,11H,9-10,16H2,1H3
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PubMed
 1.47E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50210122
PNG
(CHEMBL234881 | [2-(2',6'-dimethyl-biphenyl-3-yl)-e...)
Show SMILES CN(C)CCc1cccc(c1)-c1c(C)cccc1C
Show InChI InChI=1S/C18H23N/c1-14-7-5-8-15(2)18(14)17-10-6-9-16(13-17)11-12-19(3)4/h5-10,13H,11-12H2,1-4H3
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 2.25E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50210125
PNG
(CHEMBL232791 | [2-(2',6'-dimethoxy-biphenyl-3-yl)-...)
Show SMILES COc1cccc(OC)c1-c1cccc(CCN(C)C)c1
Show InChI InChI=1S/C18H23NO2/c1-19(2)12-11-14-7-5-8-15(13-14)18-16(20-3)9-6-10-17(18)21-4/h5-10,13H,11-12H2,1-4H3
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 4.83E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT1A

Bioorg Med Chem Lett 17: 3018-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.054
BindingDB Entry DOI: 10.7270/Q2B857T1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%