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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 = 'BDBM50313123'   
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))
BDBM50313123
PNG
(3-(naphthalen-1-ylsulfonyl)-1-(pyrrolidin-3-yl)-1H...)
Show SMILES O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O2S/c25-27(26,21-11-5-7-16-6-1-2-8-18(16)21)22-15-24(17-12-13-23-14-17)20-10-4-3-9-19(20)22/h1-11,15,17,23H,12-14H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
23.3n/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))
BDBM50313123
PNG
(3-(naphthalen-1-ylsulfonyl)-1-(pyrrolidin-3-yl)-1H...)
Show SMILES O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O2S/c25-27(26,21-11-5-7-16-6-1-2-8-18(16)21)22-15-24(17-12-13-23-14-17)20-10-4-3-9-19(20)22/h1-11,15,17,23H,12-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5HT-induced intracellular cAMP level after 10 min...


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