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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50158040'   
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))
BDBM50158040
PNG
(1-Benzenesulfonyl-3-(1-methyl-1,2,3,6-tetrahydro-p...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2O2S/c1-21-13-11-16(12-14-21)19-15-22(20-10-6-5-9-18(19)20)25(23,24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158040
PNG
(1-Benzenesulfonyl-3-(1-methyl-1,2,3,6-tetrahydro-p...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2O2S/c1-21-13-11-16(12-14-21)19-15-22(20-10-6-5-9-18(19)20)25(23,24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13.8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair