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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50313131'   
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))
BDBM50313131
PNG
(1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1H-in...)
Show SMILES CCN1CCCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c1-2-22-14-8-9-17(15-22)23-16-21(19-12-6-7-13-20(19)23)26(24,25)18-10-4-3-5-11-18/h3-7,10-13,16-17H,2,8-9,14-15H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50313131
PNG
(1-(1-ethylpiperidin-3-yl)-3-(phenylsulfonyl)-1H-in...)
Show SMILES CCN1CCCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c1-2-22-14-8-9-17(15-22)23-16-21(19-12-6-7-13-20(19)23)26(24,25)18-10-4-3-5-11-18/h3-7,10-13,16-17H,2,8-9,14-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as effect on 5HT-induced intracellular cAMP level after 10 mins by ra...


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair