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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50217923'   
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


(Homo sapiens (Human))
BDBM50217923
PNG
(1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1Hpyr...)
Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1 |w:6.8|
Show InChI InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
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Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)


Article DOI: 10.1016/j.bmc.2007.06.024
BindingDB Entry DOI: 10.7270/Q2HT2P2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50217923
PNG
(1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1Hpyr...)
Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1 |w:6.8|
Show InChI InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
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PubMed
3.63n/an/an/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Eur J Med Chem 45: 3911-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.045
BindingDB Entry DOI: 10.7270/Q27945XK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50217923
PNG
(1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1Hpyr...)
Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1ccccc1 |w:6.8|
Show InChI InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-16(14-22)23-15-19(18-11-6-12-21-20(18)23)26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3
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PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 expressed in HeLa cells assessed as intracellular cAMP level by radioimmunoassay


Bioorg Med Chem 15: 6208-26 (2007)


Article DOI: 10.1016/j.bmc.2007.06.024
BindingDB Entry DOI: 10.7270/Q2HT2P2G
More data for this
Ligand-Target Pair