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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50090524'   
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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells


Bioorg Med Chem Lett 19: 3214-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 1 hr by scintillation spectroscopic analysis


J Med Chem 57: 5823-8 (2014)


Article DOI: 10.1021/jm5003759
BindingDB Entry DOI: 10.7270/Q2D79D04
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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13n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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14.8n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


J Med Chem 48: 1781-95 (2005)


Article DOI: 10.1021/jm049615n
BindingDB Entry DOI: 10.7270/Q2ZP45N9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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16n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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512n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human cloned 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 738-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.045
BindingDB Entry DOI: 10.7270/Q2XK8F99
More data for this
Ligand-Target Pair