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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 = 'BDBM50172260'   
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))
BDBM50172260
PNG
(1-(3,4-Dimethoxy-benzenesulfonyl)-3-(1-methyl-pyrr...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(C2CCN(C)C2)c2ccccc12
Show InChI InChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50172260
PNG
(1-(3,4-Dimethoxy-benzenesulfonyl)-3-(1-methyl-pyrr...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(C2CCN(C)C2)c2ccccc12
Show InChI InChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96.7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair