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PubMed code 20719507

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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1n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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14n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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15n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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17n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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22n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346249
PNG
(7-(2-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H20N2OS/c1-21-17-4-2-3-5-18(17)22-15-7-6-13-10-14-12-19-8-9-20(14)16(13)11-15/h2-7,11,14,19H,8-10,12H2,1H3
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23n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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33n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346249
PNG
(7-(2-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H20N2OS/c1-21-17-4-2-3-5-18(17)22-15-7-6-13-10-14-12-19-8-9-20(14)16(13)11-15/h2-7,11,14,19H,8-10,12H2,1H3
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41n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346252
PNG
(7-(2-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C17H17FN2S/c18-15-3-1-2-4-17(15)21-14-6-5-12-9-13-11-19-7-8-20(13)16(12)10-14/h1-6,10,13,19H,7-9,11H2
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49n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346246
PNG
(7-o-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H20N2S/c1-13-4-2-3-5-18(13)21-16-7-6-14-10-15-12-19-8-9-20(15)17(14)11-16/h2-7,11,15,19H,8-10,12H2,1H3
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49n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346247
PNG
(7-m-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H20N2S/c1-13-3-2-4-16(9-13)21-17-6-5-14-10-15-12-19-7-8-20(15)18(14)11-17/h2-6,9,11,15,19H,7-8,10,12H2,1H3
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50n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346251
PNG
(7-(4-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H20N2OS/c1-21-15-3-6-16(7-4-15)22-17-5-2-13-10-14-12-19-8-9-20(14)18(13)11-17/h2-7,11,14,19H,8-10,12H2,1H3
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57n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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61n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346253
PNG
(7-(4-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C17H17FN2S/c18-13-2-5-15(6-3-13)21-16-4-1-12-9-14-11-19-7-8-20(14)17(12)10-16/h1-6,10,14,19H,7-9,11H2
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61n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346248
PNG
(7-p-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H20N2S/c1-13-2-5-16(6-3-13)21-17-7-4-14-10-15-12-19-8-9-20(15)18(14)11-17/h2-7,11,15,19H,8-10,12H2,1H3
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68n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346245
PNG
(1-(3-(4-methoxyphenylthio)phenyl)piperazine | CHEM...)
Show SMILES COc1ccc(Sc2cccc(c2)N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2OS/c1-20-15-5-7-16(8-6-15)21-17-4-2-3-14(13-17)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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74n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346247
PNG
(7-m-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H20N2S/c1-13-3-2-4-16(9-13)21-17-6-5-14-10-15-12-19-7-8-20(15)18(14)11-17/h2-6,9,11,15,19H,7-8,10,12H2,1H3
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77n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346251
PNG
(7-(4-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H20N2OS/c1-21-15-3-6-16(7-4-15)22-17-5-2-13-10-14-12-19-8-9-20(14)18(13)11-17/h2-7,11,14,19H,8-10,12H2,1H3
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78n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346246
PNG
(7-o-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H20N2S/c1-13-4-2-3-5-18(13)21-16-7-6-14-10-15-12-19-8-9-20(15)17(14)11-16/h2-7,11,15,19H,8-10,12H2,1H3
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81n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346254
PNG
(7-(2-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)15-3-1-2-4-17(15)24-14-6-5-12-9-13-11-22-7-8-23(13)16(12)10-14/h1-6,10,13,22H,7-9,11H2
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83n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346244
PNG
(1-(3-(phenylthio)phenyl)piperazine | CHEMBL1782355)
Show SMILES C1CN(CCN1)c1cccc(Sc2ccccc2)c1
Show InChI InChI=1S/C16H18N2S/c1-2-6-15(7-3-1)19-16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
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91n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346250
PNG
(7-(3-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H20N2OS/c1-21-15-3-2-4-16(10-15)22-17-6-5-13-9-14-12-19-7-8-20(14)18(13)11-17/h2-6,10-11,14,19H,7-9,12H2,1H3
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110n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346248
PNG
(7-p-Tolylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazin...)
Show SMILES Cc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H20N2S/c1-13-2-5-16(6-3-13)21-17-7-4-14-10-15-12-19-8-9-20(15)18(14)11-17/h2-7,11,15,19H,8-10,12H2,1H3
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110n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346250
PNG
(7-(3-Methoxy-phenylsulfanyl)-1,2,3,4,10,10a-hexahy...)
Show SMILES COc1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H20N2OS/c1-21-15-3-2-4-16(10-15)22-17-6-5-13-9-14-12-19-7-8-20(14)18(13)11-17/h2-6,10-11,14,19H,7-9,12H2,1H3
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120n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50193470
PNG
(2-(3-phenylthio)phenyl)-1-aminoethane | CHEMBL2116...)
Show SMILES NCCc1cccc(Sc2ccccc2)c1
Show InChI InChI=1S/C14H15NS/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
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150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346252
PNG
(7-(2-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C17H17FN2S/c18-15-3-1-2-4-17(15)21-14-6-5-12-9-13-11-19-7-8-20(13)16(12)10-14/h1-6,10,13,19H,7-9,11H2
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150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346253
PNG
(7-(4-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C17H17FN2S/c18-13-2-5-15(6-3-13)21-16-4-1-12-9-14-11-19-7-8-20(14)17(12)10-16/h1-6,10,14,19H,7-9,11H2
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160n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346255
PNG
(7-(3-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)13-2-1-3-15(9-13)24-16-5-4-12-8-14-11-22-6-7-23(14)17(12)10-16/h1-5,9-10,14,22H,6-8,11H2
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180n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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224n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50346256
PNG
(7-(4-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)13-2-5-15(6-3-13)24-16-4-1-12-9-14-11-22-7-8-23(14)17(12)10-16/h1-6,10,14,22H,7-9,11H2
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280n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346255
PNG
(7-(3-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1cccc(Sc2ccc3CC4CNCCN4c3c2)c1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)13-2-1-3-15(9-13)24-16-5-4-12-8-14-11-22-6-7-23(14)17(12)10-16/h1-5,9-10,14,22H,6-8,11H2
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300n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346254
PNG
(7-(2-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)15-3-1-2-4-17(15)24-14-6-5-12-9-13-11-22-7-8-23(13)16(12)10-14/h1-6,10,13,22H,7-9,11H2
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330n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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574n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346256
PNG
(7-(4-Trifluoromethyl-phenylsulfanyl)-1,2,3,4,10,10...)
Show SMILES FC(F)(F)c1ccc(Sc2ccc3CC4CNCCN4c3c2)cc1
Show InChI InChI=1S/C18H17F3N2S/c19-18(20,21)13-2-5-15(6-3-13)24-16-4-1-12-9-14-11-22-7-8-23(14)17(12)10-16/h1-6,10,14,22H,7-9,11H2
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760n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%