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Compile Data Set for Download or QSAR

Found 70 hits from Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(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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PubMed
0.631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

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)


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

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)


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

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)


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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1.30n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

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)


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

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)


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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100n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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126n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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126n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(HUMAN)
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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200n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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200n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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200n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Dopamine receptor


(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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200n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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251n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radiol...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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251n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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251n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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316n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Dopamine receptor


(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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316n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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398n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D2 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(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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398n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2C receptor in HEK293 cells, using [3H]5-mesulergine as rad...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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398n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Dopamine receptor


(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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501n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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501n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(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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501n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2C receptor in HEK293 cells, using [3H]5-mesulergine as rad...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 7 receptor in HEK293 cells, using [3H]5-CT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radiol...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2C receptor in HEK293 cells, using [3H]5-mesulergine as rad...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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631n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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794n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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794n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D2 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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794n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 7 receptor in HEK293 cells, using [3H]5-CT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(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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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1E receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(HUMAN)
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50219439
PNG
(CHEMBL29410)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1E receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radiol...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radiol...


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(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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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned Dopamine receptor D2 in CHO cells, using [125I]iodosulpride as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50001824
PNG
(CHEMBL282971)
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-/m1/s1
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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 4 receptor in HeLa cells, using [3H]LSD as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
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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PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1E receptor in CHO cells, using [3H]5-HT as radioligand


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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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1.59E+3n/an/an/an/an/an/an/an/a



Department of Psychiatry, GlaxoSmithKline, New Frontiers Science Park, Third Avenue, Harlow, CM19 5AW, Essex, UK.

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(02)00172-5
More data for this
Ligand-Target Pair
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