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PubMed code 23141912

Compile data set for download or QSAR
Found 30 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 (5-HT6)


(Homo sapiens (human))
BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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1.43n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402705
PNG
(CHEMBL2207368)
Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12
Show InChI InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
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2.82n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
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3.24n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402724
PNG
(CHEMBL2207387)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H25N3O2S/c1-25-14-16-26(17-15-25)18-20-8-4-10-23-21(20)12-13-27(23)30(28,29)24-11-5-7-19-6-2-3-9-22(19)24/h2-13H,14-18H2,1H3
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4.82n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402704
PNG
(CHEMBL2207369)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(CN3CCNCC3)cccc12
Show InChI InChI=1S/C19H21N3O2S/c23-25(24,17-6-2-1-3-7-17)22-12-9-18-16(5-4-8-19(18)22)15-21-13-10-20-11-14-21/h1-9,12,20H,10-11,13-15H2
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7.84n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402723
PNG
(CHEMBL2207389)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-17-6-8-19(9-7-17)27(25,26)24-11-10-20-18(4-3-5-21(20)24)16-23-14-12-22(2)13-15-23/h3-11H,12-16H2,1-2H3
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7.92n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402722
PNG
(CHEMBL2207768)
Show SMILES COc1ccc(c(Br)c1)S(=O)(=O)n1ccc2c(CN3CCN(C)CC3)cccc12
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-10-12-24(13-11-23)15-16-4-3-5-20-18(16)8-9-25(20)29(26,27)21-7-6-17(28-2)14-19(21)22/h3-9,14H,10-13,15H2,1-2H3
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8.58n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402721
PNG
(CHEMBL2207371)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H22FN3O2S/c1-22-11-13-23(14-12-22)15-16-3-2-4-20-19(16)9-10-24(20)27(25,26)18-7-5-17(21)6-8-18/h2-10H,11-15H2,1H3
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9.89n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402703
PNG
(CHEMBL2207370)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12
Show InChI InChI=1S/C20H23N3O2S/c1-16-5-7-18(8-6-16)26(24,25)23-12-9-19-17(3-2-4-20(19)23)15-22-13-10-21-11-14-22/h2-9,12,21H,10-11,13-15H2,1H3
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10.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402720
PNG
(CHEMBL2207372)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1ccc2c(CN3CCN(C)CC3)cccc12
Show InChI InChI=1S/C23H29N3O2S/c1-18(2)19-7-9-21(10-8-19)29(27,28)26-12-11-22-20(5-4-6-23(22)26)17-25-15-13-24(3)14-16-25/h4-12,18H,13-17H2,1-3H3
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11.1n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402719
PNG
(CHEMBL2207373)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-4-2-7-20-19(16)8-9-24(20)27(25,26)18-6-3-5-17(21)14-18/h2-9,14H,10-13,15H2,1H3
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13.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402718
PNG
(CHEMBL2207374)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-3-2-4-20-19(16)9-10-24(20)27(25,26)18-7-5-17(21)6-8-18/h2-10H,11-15H2,1H3
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23.4n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402716
PNG
(CHEMBL2207376)
Show SMILES CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-8-10-24(11-9-23)13-15-4-2-7-19-20(15)18(22)14-25(19)28(26,27)17-6-3-5-16(21)12-17/h2-7,12,14H,8-11,13H2,1H3
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27.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402717
PNG
(CHEMBL2207375)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2c(CN3CCN(C)CC3)cccc12
Show InChI InChI=1S/C21H25N3O3S/c1-22-12-14-23(15-13-22)16-17-4-3-5-21-20(17)10-11-24(21)28(25,26)19-8-6-18(27-2)7-9-19/h3-11H,12-16H2,1-2H3
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29.1n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402710
PNG
(CHEMBL2207382)
Show SMILES CN1CCN(Cc2cccc3n(cc(Br)c23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-10-12-23(13-11-22)14-16-6-5-9-19-20(16)18(21)15-24(19)27(25,26)17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3
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30.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402715
PNG
(CHEMBL2207377)
Show SMILES CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)14-16-6-5-9-19-20(16)18(21)15-24(19)27(25,26)17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3
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53.6n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402709
PNG
(CHEMBL2207383)
Show SMILES CN1CCN(Cc2cccc3n(cc(Br)c23)S(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C20H21BrClN3O2S/c1-23-8-10-24(11-9-23)13-15-4-2-7-19-20(15)18(21)14-25(19)28(26,27)17-6-3-5-16(22)12-17/h2-7,12,14H,8-11,13H2,1H3
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75.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402711
PNG
(CHEMBL2207381)
Show SMILES CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H21BrClN3O2S/c1-23-9-11-24(12-10-23)13-15-5-4-7-18-20(15)17(22)14-25(18)28(26,27)19-8-3-2-6-16(19)21/h2-8,14H,9-13H2,1H3
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90.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402708
PNG
(CHEMBL2207384)
Show SMILES CN1CCN(Cc2cccc3n(cc(Br)c23)S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24BrN3O2S/c1-26-12-14-27(15-13-26)16-19-8-4-10-22-24(19)21(25)17-28(22)31(29,30)23-11-5-7-18-6-2-3-9-20(18)23/h2-11,17H,12-16H2,1H3
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97.6n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402714
PNG
(CHEMBL2207378)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(Cl)c2c(CN3CCN(C)CC3)cccc12
Show InChI InChI=1S/C23H28ClN3O2S/c1-17(2)18-7-9-20(10-8-18)30(28,29)27-16-21(24)23-19(5-4-6-22(23)27)15-26-13-11-25(3)12-14-26/h4-10,16-17H,11-15H2,1-3H3
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99.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402707
PNG
(CHEMBL2207385)
Show SMILES CN1CCN(Cc2cccc3n(cc(Br)c23)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21BrFN3O2S/c1-23-9-11-24(12-10-23)13-15-3-2-4-19-20(15)18(21)14-25(19)28(26,27)17-7-5-16(22)6-8-17/h2-8,14H,9-13H2,1H3
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122n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402713
PNG
(CHEMBL2207379)
Show SMILES CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24ClN3O2S/c1-26-12-14-27(15-13-26)16-19-8-4-10-22-24(19)21(25)17-28(22)31(29,30)23-11-5-7-18-6-2-3-9-20(18)23/h2-11,17H,12-16H2,1H3
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165n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402712
PNG
(CHEMBL2207380)
Show SMILES CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O2S/c1-16-6-8-18(9-7-16)28(26,27)25-15-19(22)21-17(4-3-5-20(21)25)14-24-12-10-23(2)11-13-24/h3-9,15H,10-14H2,1-2H3
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222n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402706
PNG
(CHEMBL2207367)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(Br)c2c(CN3CCN(C)CC3)cccc12
Show InChI InChI=1S/C23H28BrN3O2S/c1-17(2)18-7-9-20(10-8-18)30(28,29)27-16-21(24)23-19(5-4-6-22(23)27)15-26-13-11-25(3)12-14-26/h4-10,16-17H,11-15H2,1-3H3
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278n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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n/an/a 135n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation after 4 hrs ...


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
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n/an/a 234n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation after 4 hrs ...


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
PDB
MMDB

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n/an/a 3.05E+4n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%