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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'zaremba' and Initial = 'ov'   
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))
BDBM50322093
PNG
(3-(phenylsulfonyl)-N-(thiophen-2-ylmethyl)thieno[2...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1ccccc1
Show InChI InChI=1S/C18H13N5O2S3/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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PubMed
1.70n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322162
PNG
(CHEMBL1169707 | N-Benzyl-N-methyl-3-(phenylsulfony...)
Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H17N5O2S2/c1-25(14-15-8-4-2-5-9-15)19-18-17(12-13-29-18)26-20(22-19)21(23-24-26)30(27,28)16-10-6-3-7-11-16/h2-13H,14H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322092
PNG
(CHEMBL1172725 | N-(furan-2-yl)-3-(phenylsulfonyl)t...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3ccco3)nc12)c1ccccc1
Show InChI InChI=1S/C18H13N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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2.80n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93394
PNG
(PSTQ Analog, 3{1,27})
Show SMILES CC1CCCCC1Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24)
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2.86n/a 6.17n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322112
PNG
(CHEMBL1170673 | N-Cyclohexyl-3-(phenylsulfonyl)thi...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCC3)nc12)c1ccccc1
Show InChI InChI=1S/C19H19N5O2S2/c25-28(26,14-9-5-2-6-10-14)19-18-21-17(20-13-7-3-1-4-8-13)16-15(11-12-27-16)24(18)23-22-19/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21)
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3.20n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322159
PNG
(CHEMBL1173578 | N-benzyl-N-methyl-3-(phenylsulfony...)
Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClN5O2S2/c1-26(13-14-6-3-2-4-7-14)19-18-17(10-11-30-18)27-20(23-19)21(24-25-27)31(28,29)16-9-5-8-15(22)12-16/h2-12H,13H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93364
PNG
(PSTQ Analog, 3{1,22})
Show SMILES O=S(=O)(c1nnn2c1nc(NCc1ccco1)c1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H15N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-12H,13H2,(H,21,22)
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3.54n/a 7.62n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93393
PNG
(PSTQ Analog, 3{1,26})
Show SMILES O=S(=O)(c1nnn2c1nc(NC1CCCCC1)c1ccccc21)c1ccccc1
Show InChI InChI=1S/C21H21N5O2S/c27-29(28,16-11-5-2-6-12-16)21-20-23-19(22-15-9-3-1-4-10-15)17-13-7-8-14-18(17)26(20)25-24-21/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
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5.01n/a 10.8n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322111
PNG
(CHEMBL1170672 | N-Cyclopentyl-3-(phenylsulfonyl)th...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NC3CCCC3)nc12)c1ccccc1
Show InChI InChI=1S/C18H17N5O2S2/c24-27(25,13-8-2-1-3-9-13)18-17-20-16(19-12-6-4-5-7-12)15-14(10-11-26-15)23(17)22-21-18/h1-3,8-12H,4-7H2,(H,19,20)
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5.5n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93392
PNG
(PSTQ Analog, 3{1,4})
Show SMILES CCC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-3-13(2)20-17-15-11-7-8-12-16(15)24-18(21-17)19(22-23-24)27(25,26)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21)
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7.04n/a 15.2n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93385
PNG
(PSTQ Analog, 3{1,43})
Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3
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7.65n/a 16.5n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322091
PNG
(3-(phenylsulfonyl)-N-((tetrahydrofuran-2-yl)methyl...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCC3CCCO3)nc12)c1ccccc1
Show InChI InChI=1S/C18H17N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-3,6-8,10,12H,4-5,9,11H2,(H,19,20)
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8.10n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93376
PNG
(PSTQ Analog, 3{1,25})
Show SMILES O=S(=O)(c1nnn2c1nc(NC1CCCC1)c1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
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12.9n/a 27.8n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93363
PNG
(PSTQ Analog, 3{1,21})
Show SMILES O=S(=O)(c1nnn2c1nc(NCC1CCCO1)c1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H19N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-5,8-11,14H,6-7,12-13H2,(H,21,22)
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13.2n/a 28.4n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322102
PNG
(3-(3-chlorophenylsulfonyl)-N-(pyridin-3-ylmethyl)t...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccnc3)nc12
Show InChI InChI=1S/C19H13ClN6O2S2/c20-13-4-1-5-14(9-13)30(27,28)19-18-23-17(22-11-12-3-2-7-21-10-12)16-15(6-8-29-16)26(18)25-24-19/h1-10H,11H2,(H,22,23)
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14.7n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322161
PNG
(3-(4-bromophenylsulfonyl)-N-isopentylthieno[2,3-e]...)
Show SMILES CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN5O2S2/c1-11(2)7-9-20-16-15-14(8-10-27-15)24-17(21-16)18(22-23-24)28(25,26)13-5-3-12(19)4-6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21)
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15.9n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93400
PNG
(PSTQ Analog, 3{8,4})
Show SMILES CCC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1cc(C)ccc1C
Show InChI InChI=1S/C21H23N5O2S/c1-5-15(4)22-19-16-8-6-7-9-17(16)26-20(23-19)21(24-25-26)29(27,28)18-12-13(2)10-11-14(18)3/h6-12,15H,5H2,1-4H3,(H,22,23)
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16.7n/a 35.9n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93399
PNG
(PSTQ Analog, 3{1,49})
Show SMILES CC1CCCCN1c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H21N5O2S/c1-15-9-7-8-14-25(15)19-17-12-5-6-13-18(17)26-20(22-19)21(23-24-26)29(27,28)16-10-3-2-4-11-16/h2-6,10-13,15H,7-9,14H2,1H3
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19.5n/a 42.1n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322163
PNG
(10-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1- y...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1 |TLB:4:3:11:7.5.8,4:5:2.3.10:11,12:9:2:7.4.5,THB:8:5:2:10.9.11,8:9:2:7.4.5,6:5:2:10.9.11,6:5:2.3.10:11|
Show InChI InChI=1S/C25H27N5O2S2/c1-23-10-16-11-24(2,13-23)15-25(12-16,14-23)27-20-19-18(8-9-33-19)30-21(26-20)22(28-29-30)34(31,32)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,26,27)
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26.3n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93395
PNG
(PSTQ Analog, 3{1,28})
Show SMILES CC1CCC(CC1)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 |(-7.58,11.61,;-6.24,10.84,;-4.91,11.61,;-3.58,10.84,;-3.58,9.3,;-4.91,8.53,;-6.24,9.3,;-2.24,8.53,;-2.24,6.99,;-.91,6.22,;-.91,4.62,;.24,3.59,;-.39,2.18,;-1.92,2.34,;-2.24,3.85,;-3.58,4.68,;-4.91,3.91,;-6.24,4.68,;-6.24,6.22,;-4.91,6.99,;-3.58,6.22,;1.74,3.91,;1.43,5.42,;2.13,2.42,;3.23,4.31,;3.63,5.8,;5.12,6.19,;6.21,5.11,;5.81,3.62,;4.32,3.22,)|
Show InChI InChI=1S/C22H23N5O2S/c1-15-11-13-16(14-12-15)23-20-18-9-5-6-10-19(18)27-21(24-20)22(25-26-27)30(28,29)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24)
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27.6n/a 59.5n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322165
PNG
(CHEMBL1173579 | N-(benzo[d][1,3]dioxol-5-ylmethyl)...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccc4OCOc4c3)nc12
Show InChI InChI=1S/C21H14BrN5O4S2/c22-13-2-4-14(5-3-13)33(28,29)21-20-24-19(18-15(7-8-32-18)27(20)26-25-21)23-10-12-1-6-16-17(9-12)31-11-30-16/h1-9H,10-11H2,(H,23,24)
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28.8n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322167
PNG
(CHEMBL1170091 | N-Isopropyl-(3-phenylsulfonyl)thie...)
Show SMILES CC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N5O2S2/c1-10(2)17-14-13-12(8-9-24-13)21-15(18-14)16(19-20-21)25(22,23)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
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30.2n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322181
PNG
(3-(2,5-Dimethylphenylsulfonyl)thieno[2,3-e][1,2,3]...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c3ccsc3c(N)nc12
Show InChI InChI=1S/C15H13N5O2S2/c1-8-3-4-9(2)11(7-8)24(21,22)15-14-17-13(16)12-10(5-6-23-12)20(14)19-18-15/h3-7H,1-2H3,(H2,16,17)
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46n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93391
PNG
(PSTQ Analog, 3{1,3})
Show SMILES CC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17N5O2S/c1-12(2)19-16-14-10-6-7-11-15(14)23-17(20-16)18(21-22-23)26(24,25)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,20)
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49.5n/a 107n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322166
PNG
(3-(Phenylsulfonyl)-5-pyrrolidin-1-ylthieno[2,3-e][...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(nc12)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H15N5O2S2/c23-26(24,12-6-2-1-3-7-12)17-16-18-15(21-9-4-5-10-21)14-13(8-11-25-14)22(16)20-19-17/h1-3,6-8,11H,4-5,9-10H2
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87.5n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322164
PNG
(CHEMBL1173577 | N-[1-(adamantan-1-yl)ethyl]-10-(be...)
Show SMILES CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
Show InChI InChI=1S/C25H27N5O2S2/c1-15(25-12-16-9-17(13-25)11-18(10-16)14-25)26-22-21-20(7-8-33-21)30-23(27-22)24(28-29-30)34(31,32)19-5-3-2-4-6-19/h2-8,15-18H,9-14H2,1H3,(H,26,27)
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103n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322093
PNG
(3-(phenylsulfonyl)-N-(thiophen-2-ylmethyl)thieno[2...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1ccccc1
Show InChI InChI=1S/C18H13N5O2S3/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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n/an/a 3.60n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322162
PNG
(CHEMBL1169707 | N-Benzyl-N-methyl-3-(phenylsulfony...)
Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H17N5O2S2/c1-25(14-15-8-4-2-5-9-15)19-18-17(12-13-29-18)26-20(22-19)21(23-24-26)30(27,28)16-10-6-3-7-11-16/h2-13H,14H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322092
PNG
(CHEMBL1172725 | N-(furan-2-yl)-3-(phenylsulfonyl)t...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3ccco3)nc12)c1ccccc1
Show InChI InChI=1S/C18H13N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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n/an/a 6.10n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322112
PNG
(CHEMBL1170673 | N-Cyclohexyl-3-(phenylsulfonyl)thi...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCC3)nc12)c1ccccc1
Show InChI InChI=1S/C19H19N5O2S2/c25-28(26,14-9-5-2-6-10-14)19-18-21-17(20-13-7-3-1-4-8-13)16-15(11-12-27-16)24(18)23-22-19/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21)
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n/an/a 6.90n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322159
PNG
(CHEMBL1173578 | N-benzyl-N-methyl-3-(phenylsulfony...)
Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClN5O2S2/c1-26(13-14-6-3-2-4-7-14)19-18-17(10-11-30-18)27-20(23-19)21(24-25-27)31(28,29)16-9-5-8-15(22)12-16/h2-12H,13H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322168
PNG
(5-sec-Butylamino-PSTTP | CHEMBL1173211)
Show SMILES CCC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N5O2S2/c1-3-11(2)18-15-14-13(9-10-25-14)22-16(19-15)17(20-21-22)26(23,24)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19)
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n/an/a 9.60n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322111
PNG
(CHEMBL1170672 | N-Cyclopentyl-3-(phenylsulfonyl)th...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NC3CCCC3)nc12)c1ccccc1
Show InChI InChI=1S/C18H17N5O2S2/c24-27(25,13-8-2-1-3-9-13)18-17-20-16(19-12-6-4-5-7-12)15-14(10-11-26-15)23(17)22-21-18/h1-3,8-12H,4-7H2,(H,19,20)
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n/an/a 11.9n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322091
PNG
(3-(phenylsulfonyl)-N-((tetrahydrofuran-2-yl)methyl...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCC3CCCO3)nc12)c1ccccc1
Show InChI InChI=1S/C18H17N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-3,6-8,10,12H,4-5,9,11H2,(H,19,20)
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n/an/a 17.5n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322180
PNG
(3-(2,5-dimethylphenylsulfonyl)-N-isopropylthieno[2...)
Show SMILES CC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C
Show InChI InChI=1S/C18H19N5O2S2/c1-10(2)19-16-15-13(7-8-26-15)23-17(20-16)18(21-22-23)27(24,25)14-9-11(3)5-6-12(14)4/h5-10H,1-4H3,(H,19,20)
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n/an/a 28.3n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322099
PNG
(3-(3-chlorophenylsulfonyl)-N-((tetrahydrofuran-2-y...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCC3CCCO3)nc12
Show InChI InChI=1S/C18H16ClN5O3S2/c19-11-3-1-5-13(9-11)29(25,26)18-17-21-16(20-10-12-4-2-7-27-12)15-14(6-8-28-15)24(17)23-22-18/h1,3,5-6,8-9,12H,2,4,7,10H2,(H,20,21)
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n/an/a 29n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322095
PNG
(CHEMBL1173136 | N-methyl-3-(phenylsulfonyl)-N-(pyr...)
Show SMILES CN(Cc1cccnc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H16N6O2S2/c1-25(13-14-6-5-10-21-12-14)18-17-16(9-11-29-17)26-19(22-18)20(23-24-26)30(27,28)15-7-3-2-4-8-15/h2-12H,13H2,1H3
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n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322094
PNG
(3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)thieno[2,...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3cccnc3)nc12)c1ccccc1
Show InChI InChI=1S/C19H14N6O2S2/c26-29(27,14-6-2-1-3-7-14)19-18-22-17(21-12-13-5-4-9-20-11-13)16-15(8-10-28-16)25(18)24-23-19/h1-11H,12H2,(H,21,22)
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n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322160
PNG
(3-Phenylsulfonyl-N,N-dimethylthieno[2,3-e][1,2,3]t...)
Show SMILES CN(C)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N5O2S2/c1-19(2)13-12-11(8-9-23-12)20-14(16-13)15(17-18-20)24(21,22)10-6-4-3-5-7-10/h3-9H,1-2H3
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n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93397
PNG
(PSTQ Analog, 3{1,42})
Show SMILES CN(C)CCN(C)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N6O2S/c1-24(2)13-14-25(3)18-16-11-7-8-12-17(16)26-19(21-18)20(22-23-26)29(27,28)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
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n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93396
PNG
(PSTQ Analog, 3{1,40})
Show SMILES CN(C)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)15-13-10-6-7-11-14(13)22-16(18-15)17(19-20-22)25(23,24)12-8-4-3-5-9-12/h3-11H,1-2H3
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n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute



Assay Description
Radioligand binding assay using 5-HT6R.


J Comb Chem 12: 445-52 (2010)


Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322102
PNG
(3-(3-chlorophenylsulfonyl)-N-(pyridin-3-ylmethyl)t...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccnc3)nc12
Show InChI InChI=1S/C19H13ClN6O2S2/c20-13-4-1-5-14(9-13)30(27,28)19-18-23-17(22-11-12-3-2-7-21-10-12)16-15(6-8-29-16)26(18)25-24-19/h1-10H,11H2,(H,22,23)
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n/an/a 31.7n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322215
PNG
(CHEMBL1170892 | N-(2-chlorobenzyl)-3-(phenylsulfon...)
Show SMILES Clc1ccccc1CNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H14ClN5O2S2/c21-15-9-5-4-6-13(15)12-22-18-17-16(10-11-29-17)26-19(23-18)20(24-25-26)30(27,28)14-7-2-1-3-8-14/h1-11H,12H2,(H,22,23)
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n/an/a 32n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322161
PNG
(3-(4-bromophenylsulfonyl)-N-isopentylthieno[2,3-e]...)
Show SMILES CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN5O2S2/c1-11(2)7-9-20-16-15-14(8-10-27-15)24-17(21-16)18(22-23-24)28(25,26)13-5-3-12(19)4-6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21)
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n/an/a 34.3n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322161
PNG
(3-(4-bromophenylsulfonyl)-N-isopentylthieno[2,3-e]...)
Show SMILES CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H18BrN5O2S2/c1-11(2)7-9-20-16-15-14(8-10-27-15)24-17(21-16)18(22-23-24)28(25,26)13-5-3-12(19)4-6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,20,21)
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n/an/a 34.3n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322220
PNG
(CHEMBL1170086 | N-(1-Phenylethyl)-3-(phenylsulfony...)
Show SMILES CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N5O2S2/c1-14(15-8-4-2-5-9-15)22-19-18-17(12-13-29-18)26-20(23-19)21(24-25-26)30(27,28)16-10-6-3-7-11-16/h2-14H,1H3,(H,22,23)
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n/an/a 37n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322092
PNG
(CHEMBL1172725 | N-(furan-2-yl)-3-(phenylsulfonyl)t...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3ccco3)nc12)c1ccccc1
Show InChI InChI=1S/C18H13N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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n/an/a 40n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322210
PNG
(3-(3,4-dimethylphenylsulfonyl)-N-isopentylthieno[2...)
Show SMILES CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C20H23N5O2S2/c1-12(2)7-9-21-18-17-16(8-10-28-17)25-19(22-18)20(23-24-25)29(26,27)15-6-5-13(3)14(4)11-15/h5-6,8,10-12H,7,9H2,1-4H3,(H,21,22)
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n/an/a 46n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322163
PNG
(10-(benzenesulfonyl)-N-(3,5-dimethyladamantan-1- y...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1 |TLB:4:3:11:7.5.8,4:5:2.3.10:11,12:9:2:7.4.5,THB:8:5:2:10.9.11,8:9:2:7.4.5,6:5:2:10.9.11,6:5:2.3.10:11|
Show InChI InChI=1S/C25H27N5O2S2/c1-23-10-16-11-24(2,13-23)15-25(12-16,14-23)27-20-19-18(8-9-33-19)30-21(26-20)22(28-29-30)34(31,32)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,26,27)
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n/an/a 56.7n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322214
PNG
(CHEMBL1170891 | N-benzyl-3-(phenylsulfonyl)thieno[...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3ccccc3)nc12)c1ccccc1
Show InChI InChI=1S/C20H15N5O2S2/c26-29(27,15-9-5-2-6-10-15)20-19-22-18(21-13-14-7-3-1-4-8-14)17-16(11-12-28-17)25(19)24-23-20/h1-12H,13H2,(H,21,22)
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n/an/a 59n/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


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
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