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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 = 'BDBM50134807'   
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))
BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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Article
PubMed
4n/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


(Homo sapiens (Human))
BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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n/an/a 4n/an/an/an/an/an/a



Chemical Diversity Research Institute (CDRI)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux...


Bioorg Med Chem 21: 4614-27 (2013)


Article DOI: 10.1016/j.bmc.2013.05.040
BindingDB Entry DOI: 10.7270/Q2DJ5JK0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


Bioorg Med Chem 22: 1782-90 (2014)


Article DOI: 10.1016/j.bmc.2014.01.003
BindingDB Entry DOI: 10.7270/Q2PN98M5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50134807
PNG
(3-Benzenesulfonyl-2-methylsulfanyl-pyrido[1,2-a]py...)
Show SMILES CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O2S2/c1-21-15-13(22(19,20)11-7-3-2-4-8-11)14(16)18-10-6-5-9-12(18)17-15/h2-10,16H,1H3
PDB

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 6 receptor using [3H]- LSD as radioligand


J Med Chem 46: 4834-7 (2003)


Article DOI: 10.1021/jm034142q
BindingDB Entry DOI: 10.7270/Q25T3JWV
More data for this
Ligand-Target Pair