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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50158054'   
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 (5-HT6)


(Homo sapiens (Human))
BDBM50158054
PNG
(4-[7-(1,2,3,6-Tetrahydro-pyridin-4-yl)-[1,3]dioxol...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc3OCOc3cc12 |t:14|
Show InChI InChI=1S/C20H19N3O4S/c21-14-1-3-15(4-2-14)28(24,25)23-11-17(13-5-7-22-8-6-13)16-9-19-20(10-18(16)23)27-12-26-19/h1-5,9-11,22H,6-8,12,21H2
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PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158054
PNG
(4-[7-(1,2,3,6-Tetrahydro-pyridin-4-yl)-[1,3]dioxol...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc3OCOc3cc12 |t:14|
Show InChI InChI=1S/C20H19N3O4S/c21-14-1-3-15(4-2-14)28(24,25)23-11-17(13-5-7-22-8-6-13)16-9-19-20(10-18(16)23)27-12-26-19/h1-5,9-11,22H,6-8,12,21H2
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair