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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'routledge' and Initial = 'c'   
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))
BDBM50403846
PNG
(CHEMBL356021)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCCc2ccc(Br)cc12
Show InChI InChI=1S/C20H24BrN3O3S/c1-27-20-7-6-17(14-19(20)23-11-8-22-9-12-23)28(25,26)24-10-2-3-15-4-5-16(21)13-18(15)24/h4-7,13-14,22H,2-3,8-12H2,1H3
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0.316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403827
PNG
(CHEMBL414628)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3
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0.316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand (n...


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403827
PNG
(CHEMBL414628)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3
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0.316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50408704
PNG
(CHEMBL282229)
Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C
Show InChI InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3
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0.501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403839
PNG
(CHEMBL155717)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C17H19Br2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3
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0.501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219087
PNG
(CHEMBL97637)
Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403850
PNG
(CHEMBL157454)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2c(Cl)ccc(Cl)c2C1
Show InChI InChI=1S/C20H23Cl2N3O3S/c1-28-20-5-2-14(12-19(20)24-10-7-23-8-11-24)29(26,27)25-9-6-15-16(13-25)18(22)4-3-17(15)21/h2-5,12,23H,6-11,13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219087
PNG
(CHEMBL97637)
Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403851
PNG
(CHEMBL346338)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(I)c1
Show InChI InChI=1S/C17H20IN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3
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0.501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219081
PNG
(CHEMBL261917)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50130286
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...


Bioorg Med Chem Lett 12: 1357-60 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3H7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403840
PNG
(CHEMBL345110)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H19Cl2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3
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0.631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219081
PNG
(CHEMBL261917)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50130270
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...


Bioorg Med Chem Lett 12: 1357-60 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3H7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001824
PNG
(CHEMBL282971)
Show SMILES [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n...


Bioorg Med Chem Lett 12: 1357-60 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3H7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403845
PNG
(CHEMBL154089)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(I)ccc1C
Show InChI InChI=1S/C18H22IN3O3S/c1-13-3-4-14(19)11-16(13)21-26(23,24)15-5-6-18(25-2)17(12-15)22-9-7-20-8-10-22/h3-6,11-12,20-21H,7-10H2,1-2H3
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0.794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403843
PNG
(CHEMBL151295)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1c2ccccc2CC1(C)C
Show InChI InChI=1S/C21H27N3O3S/c1-21(2)15-16-6-4-5-7-18(16)24(21)28(25,26)17-8-9-20(27-3)19(14-17)23-12-10-22-11-13-23/h4-9,14,22H,10-13,15H2,1-3H3
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0.794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403861
PNG
(CHEMBL151998)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCCc2c(Cl)cc(Cl)cc12
Show InChI InChI=1S/C20H23Cl2N3O3S/c1-28-20-5-4-15(13-19(20)24-9-6-23-7-10-24)29(26,27)25-8-2-3-16-17(22)11-14(21)12-18(16)25/h4-5,11-13,23H,2-3,6-10H2,1H3
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0.794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403826
PNG
(CHEMBL154274)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
Show InChI InChI=1S/C17H19Br2N3O3S/c1-25-17-5-3-13(11-16(17)22-8-6-20-7-9-22)26(23,24)21-15-10-12(18)2-4-14(15)19/h2-5,10-11,20-21H,6-9H2,1H3
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand(n=...


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403826
PNG
(CHEMBL154274)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
Show InChI InChI=1S/C17H19Br2N3O3S/c1-25-17-5-3-13(11-16(17)22-8-6-20-7-9-22)26(23,24)21-15-10-12(18)2-4-14(15)19/h2-5,10-11,20-21H,6-9H2,1H3
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403842
PNG
(CHEMBL154675)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1ccccc1C(C)C
Show InChI InChI=1S/C20H27N3O3S/c1-15(2)17-6-4-5-7-18(17)22-27(24,25)16-8-9-20(26-3)19(14-16)23-12-10-21-11-13-23/h4-9,14-15,21-22H,10-13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219089
PNG
(CHEMBL318018)
Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219084
PNG
(CHEMBL97596)
Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219083
PNG
(CHEMBL316081)
Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219084
PNG
(CHEMBL97596)
Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM85166
PNG
(CAS_3292447 | NSC_3292447 | SB 216641)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219089
PNG
(CHEMBL318018)
Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219083
PNG
(CHEMBL316081)
Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403838
PNG
(CHEMBL154273)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C18H22ClN3O4S/c1-25-17-5-3-13(19)11-15(17)21-27(23,24)14-4-6-18(26-2)16(12-14)22-9-7-20-8-10-22/h3-6,11-12,20-21H,7-10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403837
PNG
(CHEMBL154367)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H20BrN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219090
PNG
(CHEMBL95388)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C21H23ClN4O2S/c1-14-12-21(15(2)11-18(14)22)29(27,28)25-16-3-4-19-17(13-16)20(5-6-24-19)26-9-7-23-8-10-26/h3-6,11-13,23,25H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219082
PNG
(CHEMBL95823)
Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219086
PNG
(CHEMBL98965)
Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219085
PNG
(CHEMBL97211)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219086
PNG
(CHEMBL98965)
Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219082
PNG
(CHEMBL95823)
Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]LSD as radioligand; n=3


Bioorg Med Chem Lett 12: 1357-60 (2002)


BindingDB Entry DOI: 10.7270/Q2NK3H7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219085
PNG
(CHEMBL97211)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403863
PNG
(CHEMBL157173)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2cccc(Cl)c2C1
Show InChI InChI=1S/C20H24ClN3O3S/c1-27-20-6-5-16(13-19(20)23-11-8-22-9-12-23)28(25,26)24-10-7-15-3-2-4-18(21)17(15)14-24/h2-6,13,22H,7-12,14H2,1H3
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403859
PNG
(CHEMBL348870)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50408701
PNG
(CHEMBL21724)
Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12
Show InChI InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34)
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1.58n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403847
PNG
(CHEMBL157338)
Show SMILES COc1ccc(OC)c2CN(CCc12)S(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C22H29N3O5S/c1-28-20-6-7-21(29-2)18-15-25(11-8-17(18)20)31(26,27)16-4-5-22(30-3)19(14-16)24-12-9-23-10-13-24/h4-7,14,23H,8-13,15H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219096
PNG
(CHEMBL99982)
Show SMILES CC(C)c1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)23-19-13-16(25)3-6-22(19)32-24(23)33(30,31)28-17-4-5-20-18(14-17)21(7-8-27-20)29-11-9-26-10-12-29/h3-8,13-15,26,28H,9-12H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219100
PNG
(CHEMBL95878)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C19H19IN4O2S/c20-14-1-4-16(5-2-14)27(25,26)23-15-3-6-18-17(13-15)19(7-8-22-18)24-11-9-21-10-12-24/h1-8,13,21,23H,9-12H2
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50403849
PNG
(CHEMBL155106)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1ccccc1Br
Show InChI InChI=1S/C17H20BrN3O3S/c1-24-17-7-6-13(12-16(17)21-10-8-19-9-11-21)25(22,23)20-15-5-3-2-4-14(15)18/h2-7,12,19-20H,8-11H2,1H3
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 55-8 (2001)


BindingDB Entry DOI: 10.7270/Q21R6RPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219095
PNG
(CHEMBL94988)
Show SMILES [H][C@@]12CCCN1CCN(C2)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C25H25ClN4O2S2/c1-16-20-13-17(26)4-7-24(20)33-25(16)34(31,32)28-18-5-6-22-21(14-18)23(8-9-27-22)30-12-11-29-10-2-3-19(29)15-30/h4-9,13-14,19,28H,2-3,10-12,15H2,1H3/t19-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219099
PNG
(CHEMBL98353)
Show SMILES Cc1sc2c(Cl)cccc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(16-3-2-4-18(23)21(16)30-14)31(28,29)26-15-5-6-19-17(13-15)20(7-8-25-19)27-11-9-24-10-12-27/h2-8,13,24,26H,9-12H2,1H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50219127
PNG
(CHEMBL316643)
Show SMILES C[C@@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 |r|
Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
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