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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM34152'   
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))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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Article
PubMed
0.580n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128275
BindingDB Entry DOI: 10.7270/Q2VQ36SJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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Article
PubMed
2.20n/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


(Homo sapiens (Human))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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PubMed
2.20n/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))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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Article
PubMed
2.20 -51.4n/an/an/an/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


J Med Chem 52: 6153-7 (2009)


Article DOI: 10.1021/jm900796p
BindingDB Entry DOI: 10.7270/Q2BG2P3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34152
PNG
(CHEMBL362628 | E-6801)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
PDB

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Article
PubMed
312n/an/an/an/an/an/an/an/a



Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells


Eur J Med Chem 162: 679-734 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX
More data for this
Ligand-Target Pair