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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50159196'   
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 (5-HT6)


(Homo sapiens (Human))
BDBM50159196
PNG
(3-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159196
PNG
(3-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2
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36n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159196
PNG
(3-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2
Reactome pathway
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Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective agonist concentration in cAMP release assay in HeLa cells expressing human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair