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PubMed code 16002287

Compile data set for download or QSAR
Found 9 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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Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against Human 5-HT7R expressed in sf9 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
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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5.40n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against Human 5-HT7R expressed in sf9 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
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 against rat 5-HT1A receptor


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
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
Binding affinity against Human 5-HT7R expressed in sf9 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
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 against rat 5-HT1A receptor


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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19n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-HT7R expressed in HEK-293 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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21n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-HT7R expressed in HEK-293 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
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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PubMed
33.7n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-HT1A receptor


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50170157
PNG
(1-(2-Methoxy-phenyl)-4-[1-(2-trifluoromethyl-pheny...)
Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C23H24F3N3O/c1-30-22-9-5-4-8-21(22)28-14-12-27(13-15-28)16-18-10-11-29(17-18)20-7-3-2-6-19(20)23(24,25)26/h2-11,17H,12-16H2,1H3
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105n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-HT7R expressed in HEK-293 cells


Bioorg Med Chem Lett 15: 3753-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.059
BindingDB Entry DOI: 10.7270/Q2BV7G51
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%