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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50164758'   
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))
BDBM50164758
PNG
(2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
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Article
PubMed
6 -46.9n/an/an/an/an/a7.425



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK-293 cells using [3H]-LSD done for 90 minutes at pH 7.4 at room tempera...


Bioorg Med Chem Lett 15: 1987-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.070
BindingDB Entry DOI: 10.7270/Q22B8XJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50164758
PNG
(2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
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Article
PubMed
6n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50164758
PNG
(2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
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PubMed
6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50164758
PNG
(2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
PDB

Reactome pathway
KEGG

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Article
PubMed
6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair