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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 = 'BDBM50330514'   
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))
BDBM50330514
PNG
(1-ethyl-3-(phenylsulfonyl)-5-(piperazin-1-yl)-1H-i...)
Show SMILES CCn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N4O2S/c1-2-23-18-9-8-15(22-12-10-20-11-13-22)14-17(18)19(21-23)26(24,25)16-6-4-3-5-7-16/h3-9,14,20H,2,10-13H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)


Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50330514
PNG
(1-ethyl-3-(phenylsulfonyl)-5-(piperazin-1-yl)-1H-i...)
Show SMILES CCn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N4O2S/c1-2-23-18-9-8-15(22-12-10-20-11-13-22)14-17(18)19(21-23)26(24,25)16-6-4-3-5-7-16/h3-9,14,20H,2,10-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells by cyclase assay


J Med Chem 53: 7639-46 (2010)


Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6
More data for this
Ligand-Target Pair