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PubMed code 21333408

Compile data set for download or QSAR
Found 21 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))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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PubMed
0.260n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340726
PNG
(5,7-dimethyl-2-(methylthio)-3-(phenylsulfonyl)pyra...)
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)21-3)22(19,20)12-7-5-4-6-8-12/h4-9H,1-3H3
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PubMed
1.20n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340730
PNG
(5,7-Dimethyl-2-(ethylthio)-3-phenylsulfonyl-pyrazo...)
Show SMILES CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O2S2/c1-4-22-16-14(23(20,21)13-8-6-5-7-9-13)15-17-11(2)10-12(3)19(15)18-16/h5-10H,4H2,1-3H3
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PubMed
1.91n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340726
PNG
(5,7-dimethyl-2-(methylthio)-3-(phenylsulfonyl)pyra...)
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)21-3)22(19,20)12-7-5-4-6-8-12/h4-9H,1-3H3
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PubMed
2n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340731
PNG
(CHEMBL1762569 | N,N,5,7-Tetramethyl-3-(phenylsulfo...)
Show SMILES CN(C)c1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H18N4O2S/c1-11-10-12(2)20-15(17-11)14(16(18-20)19(3)4)23(21,22)13-8-6-5-7-9-13/h5-10H,1-4H3
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PubMed
14.5n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340728
PNG
(2-{[5,7-Dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]...)
Show SMILES Cc1cc(C)n2nc(OCCO)c(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O4S/c1-11-10-12(2)19-15(17-11)14(16(18-19)23-9-8-20)24(21,22)13-6-4-3-5-7-13/h3-7,10,20H,8-9H2,1-2H3
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PubMed
22.2n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340727
PNG
(2,5,7-Triimethyl-phenylsulfonyl-pyrazolo[1,5-a]pyr...)
Show SMILES Cc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3
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PubMed
68.4n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340727
PNG
(2,5,7-Triimethyl-phenylsulfonyl-pyrazolo[1,5-a]pyr...)
Show SMILES Cc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3
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PubMed
88.8n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340729
PNG
(5,7-Dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(C)n2ncc(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
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PubMed
237n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340728
PNG
(2-{[5,7-Dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]...)
Show SMILES Cc1cc(C)n2nc(OCCO)c(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O4S/c1-11-10-12(2)19-15(17-11)14(16(18-19)23-9-8-20)24(21,22)13-6-4-3-5-7-13/h3-7,10,20H,8-9H2,1-2H3
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PubMed
283n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340732
PNG
(CHEMBL1762572 | N-[5,7-Dimethyl-3-(phenylsulfonyl)...)
Show SMILES CN(C)CCN(C)c1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H25N5O2S/c1-14-13-15(2)24-18(20-14)17(19(21-24)23(5)12-11-22(3)4)27(25,26)16-9-7-6-8-10-16/h6-10,13H,11-12H2,1-5H3
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PubMed
489n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340729
PNG
(5,7-Dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(C)n2ncc(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
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PubMed
561n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340733
PNG
(CHEMBL1762573 | N'-[5,7-Dimethyl-3-(phenylsulfonyl...)
Show SMILES CN(C)CCCNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H25N5O2S/c1-14-13-15(2)24-19(21-14)17(18(22-24)20-11-8-12-23(3)4)27(25,26)16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,22)
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PubMed
764n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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PubMed
1.04E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as inhibition of alpha-Me-serotonin-induced intracellular calcium mobi...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340734
PNG
(5,7-Dimethyl-3-(phenylsulfonyl)-2-piperazin-1-ylpy...)
Show SMILES Cc1cc(C)n2nc(N3CCNCC3)c(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H21N5O2S/c1-13-12-14(2)23-17(20-13)16(18(21-23)22-10-8-19-9-11-22)26(24,25)15-6-4-3-5-7-15/h3-7,12,19H,8-11H2,1-2H3
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PubMed
1.38E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340735
PNG
((2-{[5,7-Dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a...)
Show SMILES CN(C)CCOc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3S/c1-13-12-14(2)22-17(19-13)16(18(20-22)25-11-10-21(3)4)26(23,24)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340736
PNG
(CHEMBL1762576 | N'-[5,7-Dimethyl-3-(phenylsulfonyl...)
Show SMILES CN(C)CCNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H23N5O2S/c1-13-12-14(2)23-18(20-13)16(17(21-23)19-10-11-22(3)4)26(24,25)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,19,21)
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PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50340737
PNG
(5,7-Dimethyl-2-(methylsulfinyl)-3-(phenylsulfonyl)...)
Show SMILES Cc1cc(C)n2nc(c(c2n1)S(=O)(=O)c1ccccc1)S(C)=O
Show InChI InChI=1S/C15H15N3O3S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)22(3)19)23(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3
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PubMed
2.96E+3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT2B receptor


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by patch clamp method


Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%