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PubMed code 20207539

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))
BDBM50314762
PNG
(5-methyl-2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9...)
Show SMILES CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314759
PNG
(2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...)
Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3
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PubMed
0.458n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314760
PNG
(2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...)
Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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PubMed
0.549n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314763
PNG
(9-methyl-2-(methylthio)-3-(phenylsulfonyl)-5,6,7,8...)
Show SMILES CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)19-17-16(18(24-2)20-21(12)17)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
0.680n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314761
PNG
(2-Methylsulfanyl-3-phenylsulfonyl-5,6,7,8-tetrahyd...)
Show SMILES CSc1nn2cc3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-14-10-6-5-7-12(14)11-20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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PubMed
7.97n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314759
PNG
(2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...)
Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314760
PNG
(2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...)
Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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PubMed
n/an/a 7.5n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314763
PNG
(9-methyl-2-(methylthio)-3-(phenylsulfonyl)-5,6,7,8...)
Show SMILES CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)19-17-16(18(24-2)20-21(12)17)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
n/an/a 7.80n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314762
PNG
(5-methyl-2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9...)
Show SMILES CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
n/an/a 16.8n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50314761
PNG
(2-Methylsulfanyl-3-phenylsulfonyl-5,6,7,8-tetrahyd...)
Show SMILES CSc1nn2cc3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-14-10-6-5-7-12(14)11-20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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PubMed
n/an/a 98.5n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins befor...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50314759
PNG
(2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...)
Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3
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PubMed
n/an/a 118n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor in HEK293 cells assessed as inhibition of alphaME-5-HT-induced cAMP accumulation pretreated for 15 secs b...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50314763
PNG
(9-methyl-2-(methylthio)-3-(phenylsulfonyl)-5,6,7,8...)
Show SMILES CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)19-17-16(18(24-2)20-21(12)17)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
n/an/a 127n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor in HEK293 cells assessed as inhibition of alphaME-5-HT-induced cAMP accumulation pretreated for 15 secs b...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50314762
PNG
(5-methyl-2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9...)
Show SMILES CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
n/an/a 161n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor in HEK293 cells assessed as inhibition of alphaME-5-HT-induced cAMP accumulation pretreated for 15 secs b...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50314760
PNG
(2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...)
Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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Article
PubMed
n/an/a 411n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor in HEK293 cells assessed as inhibition of alphaME-5-HT-induced cAMP accumulation pretreated for 15 secs b...


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50314762
PNG
(5-methyl-2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9...)
Show SMILES CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERG by patch clamp assay


Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%