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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM21366'   
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))
BDBM21366
PNG
((2-{3-[(3-fluorobenzene)sulfonyl]-1H-indol-1-yl}et...)
Show SMILES CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3
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Article
PubMed
10.3 -45.1n/an/an/an/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)


Article DOI: 10.1021/jm070521y
BindingDB Entry DOI: 10.7270/Q23R0R5G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM21366
PNG
((2-{3-[(3-fluorobenzene)sulfonyl]-1H-indol-1-yl}et...)
Show SMILES CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of radioligand from human 5-HT6 receptor expressed in HeLa cells by scintillation counter


J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM21366
PNG
((2-{3-[(3-fluorobenzene)sulfonyl]-1H-indol-1-yl}et...)
Show SMILES CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor transfected in HeLa cells


Bioorg Med Chem Lett 14: 5499-502 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.003
BindingDB Entry DOI: 10.7270/Q2SB457X
More data for this
Ligand-Target Pair