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PubMed code 21134749

Compile data set for download or QSAR
Found 31 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))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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PubMed
3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334254
PNG
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334253
PNG
(3-(4-ethylpiperazin-1-yl)-1-(4-isopropylphenylsulf...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334259
PNG
(5-Bromo-1-(2-bromobenzenesulfonyl)-3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19Br2N3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-7-6-14(20)12-15(17)18)27(25,26)19-5-3-2-4-16(19)21/h2-7,12-13H,8-11H2,1H3
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10.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334256
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21BrFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.6n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334260
PNG
(5-Chloro-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpip...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334250
PNG
(1-(3-chlorophenylsulfonyl)-3-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN3O2S/c1-21-9-11-22(12-10-21)19-14-23(18-8-3-2-7-17(18)19)26(24,25)16-6-4-5-15(20)13-16/h2-8,13-14H,9-12H2,1H3
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10.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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11.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334251
PNG
(1-(2-bromophenylsulfonyl)-3-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H20BrN3O2S/c1-21-10-12-22(13-11-21)18-14-23(17-8-4-2-6-15(17)18)26(24,25)19-9-5-3-7-16(19)20/h2-9,14H,10-13H2,1H3
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15.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334252
PNG
(3-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-1H-i...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-20-11-13-21(14-12-20)19-15-22(18-10-6-5-9-17(18)19)25(23,24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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15.9n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334261
PNG
(5-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C20H21BrClN3O2S/c1-2-23-9-11-24(12-10-23)19-14-25(18-8-7-15(22)13-16(18)19)28(26,27)20-6-4-3-5-17(20)21/h3-8,13-14H,2,9-12H2,1H3
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20.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334257
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-methyl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C22H26BrN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-14-18(23)6-9-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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23.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334266
PNG
(6-Chloro-1-(2-naphthylsulfonyl)-3-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-2-26-11-13-27(14-12-26)24-17-28(23-16-20(25)8-10-22(23)24)31(29,30)21-9-7-18-5-3-4-6-19(18)15-21/h3-10,15-17H,2,11-14H2,1H3
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25.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334258
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-ethylp...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28BrN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334267
PNG
(6-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-12-14(21)6-7-15(17)18)27(25,26)19-5-3-2-4-16(19)20/h2-7,12-13H,8-11H2,1H3
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30.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334262
PNG
(5-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-ethyl...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28ClN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334264
PNG
(6-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methy...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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55.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334265
PNG
(6-Chloro-1-(2,5-dimethoxybenzenesulfonyl)-3-(4-eth...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1cc(OC)ccc1OC
Show InChI InChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
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63.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334263
PNG
(6-Chloro-1-(4-methoxybenzenesulfonyl)-3-(4-ethylpi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
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82.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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n/an/a 292n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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n/an/a 310n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334254
PNG
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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n/an/a 322n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50334260
PNG
(5-Chloro-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpip...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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n/an/a 4.61E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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n/an/a 4.77E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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n/an/a 5.54E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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n/an/a 2.64E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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n/an/a 2.88E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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n/an/a 3.92E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%