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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 = 'BDBM50217914'   
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))
BDBM50217914
PNG
(3-(3-chloro-benzenesulfonyl)-1-(1-ethyl-pyrrolidin...)
Show SMILES CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1 |w:5.7|
Show InChI InChI=1S/C19H20ClN3O2S/c1-2-22-10-8-15(12-22)23-13-18(17-7-4-9-21-19(17)23)26(24,25)16-6-3-5-14(20)11-16/h3-7,9,11,13,15H,2,8,10,12H2,1H3
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Article
PubMed
3.30n/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))
BDBM50217914
PNG
(3-(3-chloro-benzenesulfonyl)-1-(1-ethyl-pyrrolidin...)
Show SMILES CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1 |w:5.7|
Show InChI InChI=1S/C19H20ClN3O2S/c1-2-22-10-8-15(12-22)23-13-18(17-7-4-9-21-19(17)23)26(24,25)16-6-3-5-14(20)11-16/h3-7,9,11,13,15H,2,8,10,12H2,1H3
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PubMed
3.31n/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))
BDBM50217914
PNG
(3-(3-chloro-benzenesulfonyl)-1-(1-ethyl-pyrrolidin...)
Show SMILES CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1 |w:5.7|
Show InChI InChI=1S/C19H20ClN3O2S/c1-2-22-10-8-15(12-22)23-13-18(17-7-4-9-21-19(17)23)26(24,25)16-6-3-5-14(20)11-16/h3-7,9,11,13,15H,2,8,10,12H2,1H3
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PubMed
n/an/a 120n/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