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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 = 'BDBM50313124'   
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))
BDBM50313124
PNG
(1-(1-methylpyrrolidin-3-yl)-3-(naphthalen-1-ylsulf...)
Show SMILES CN1CCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2O2S/c1-24-14-13-18(15-24)25-16-23(20-10-4-5-11-21(20)25)28(26,27)22-12-6-8-17-7-2-3-9-19(17)22/h2-12,16,18H,13-15H2,1H3
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PC cid
PC sid
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Article
PubMed
6n/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))
BDBM50313124
PNG
(1-(1-methylpyrrolidin-3-yl)-3-(naphthalen-1-ylsulf...)
Show SMILES CN1CCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2O2S/c1-24-14-13-18(15-24)25-16-23(20-10-4-5-11-21(20)25)28(26,27)22-12-6-8-17-7-2-3-9-19(17)22/h2-12,16,18H,13-15H2,1H3
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PC sid
UniChem

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Article
PubMed
n/an/a 60n/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