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Compile Data Set for Download or QSAR

Found 907 hits of ic50 data for polymerid = 2142,49000107,49000109   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328390
PNG
(3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(4-met...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-5-3-14(22)11-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.0660n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328384
PNG
(3-(difluoromethyl)-5-fluoro-1-((4-methoxy-3-(4-met...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2cc(F)ccc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-11-14(22)3-5-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.0740n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328391
PNG
(6-chloro-3-(difluoromethyl)-1-((4-methoxy-3-(piper...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H20ClF2N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-4-2-13(21)10-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.0850n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328394
PNG
(3-(difluoromethyl)-6-bromo-1-((4-methoxy-3-(4-meth...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Br)cc12
Show InChI InChI=1S/C21H22BrF2N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-5-3-14(22)11-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.0900n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328397
PNG
(6-chloro-3-(difluoromethyl)-1-((3-(4-isopropylpipe...)
Show SMILES COc1ccc(cc1N1CCN(CC1)C(C)C)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H26ClF2N3O3S/c1-15(2)27-8-10-28(11-9-27)21-13-17(5-7-22(21)32-3)33(30,31)29-14-19(23(25)26)18-6-4-16(24)12-20(18)29/h4-7,12-15,23H,8-11H2,1-3H3
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n/an/a 0.0900n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328396
PNG
(6-chloro-1-((3-(4-cyclopropylpiperazin-1-yl)-4-met...)
Show SMILES COc1ccc(cc1N1CCN(CC1)C1CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H24ClF2N3O3S/c1-32-22-7-5-17(13-21(22)28-10-8-27(9-11-28)16-3-4-16)33(30,31)29-14-19(23(25)26)18-6-2-15(24)12-20(18)29/h2,5-7,12-14,16,23H,3-4,8-11H2,1H3
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n/an/a 0.0920n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328392
PNG
(3-(difluoromethyl)-6-chloro-1-((4-methoxy-3-(4-met...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClF2N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-5-3-14(22)11-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328395
PNG
(6-chloro-3-(difluoromethyl)-1-((3-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1cc(ccc1OC)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H24ClF2N3O3S/c1-3-26-8-10-27(11-9-26)20-13-16(5-7-21(20)31-2)32(29,30)28-14-18(22(24)25)17-6-4-15(23)12-19(17)28/h4-7,12-14,22H,3,8-11H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328400
PNG
(3-(difluoromethyl)-1-((4-methoxy-3-(4-methylpipera...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C22H22F5N3O3S/c1-28-7-9-29(10-8-28)19-12-15(4-6-20(19)33-2)34(31,32)30-13-17(21(23)24)16-5-3-14(11-18(16)30)22(25,26)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328380
PNG
(6-chloro-1-((4-methoxy-3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1ccc2ccc(Cl)cc12
Show InChI InChI=1S/C20H22ClN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156203
PNG
(CHEMBL3781299)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCc1cccc2ccc(Br)cc12
Show InChI InChI=1S/C24H28BrN3O3S/c1-27-12-14-28(15-13-27)23-17-21(8-9-24(23)31-2)32(29,30)26-11-10-19-5-3-4-18-6-7-20(25)16-22(18)19/h3-9,16-17,26H,10-15H2,1-2H3
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n/an/a 0.170n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328381
PNG
(6-bromo-1-((4-methoxy-3-(4-methylpiperazin-1-yl)ph...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1ccc2ccc(Br)cc12
Show InChI InChI=1S/C20H22BrN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 0.170n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328388
PNG
(3-(difluoromethyl)-5-bromo-1-((4-methoxy-3-(4-meth...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2cc(Br)ccc12
Show InChI InChI=1S/C21H22BrF2N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-11-14(22)3-5-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328379
PNG
(6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)su...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1ccc2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN3O3S/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/h2-6,9,12-13,21H,7-8,10-11H2,1H3
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n/an/a 0.210n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328386
PNG
(5-chloro-3-(difluoromethyl)-1-((4-methoxy-3-(4-met...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClF2N3O3S/c1-25-7-9-26(10-8-25)19-12-15(4-6-20(19)30-2)31(28,29)27-13-17(21(23)24)16-11-14(22)3-5-18(16)27/h3-6,11-13,21H,7-10H2,1-2H3
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n/an/a 0.220n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111790
PNG
(US8618114, 1.2.22(5).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O2S/c1-9-13(8-18)10(2)22-16(20-9)14(15(19-3)21-22)25(23,24)12-6-4-5-11(17)7-12/h4-7H,8,18H2,1-3H3,(H,19,21)
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n/an/a 0.227n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328401
PNG
(3-(difluoromethyl)-1-((3-(4-ethylpiperazin-1-yl)-4...)
Show SMILES CCN1CCN(CC1)c1cc(ccc1OC)S(=O)(=O)n1cc(C(F)F)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C23H24F5N3O3S/c1-3-29-8-10-30(11-9-29)20-13-16(5-7-21(20)34-2)35(32,33)31-14-18(22(24)25)17-6-4-15(12-19(17)31)23(26,27)28/h4-7,12-14,22H,3,8-11H2,1-2H3
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n/an/a 0.25n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328389
PNG
(3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piper...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-4-2-13(21)10-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.260n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156201
PNG
(CHEMBL3781323)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCc1cccc2ccc(F)cc12
Show InChI InChI=1S/C24H28FN3O3S/c1-27-12-14-28(15-13-27)23-17-21(8-9-24(23)31-2)32(29,30)26-11-10-19-5-3-4-18-6-7-20(25)16-22(18)19/h3-9,16-17,26H,10-15H2,1-2H3
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n/an/a 0.280n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111771
PNG
(US8618114, 1.2.11(1))
Show SMILES CNc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H15N5O2S/c1-9-8-11(15)19-14(17-9)12(13(16-2)18-19)22(20,21)10-6-4-3-5-7-10/h3-8H,15H2,1-2H3,(H,16,18)
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n/an/a 0.293n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156209
PNG
(CHEMBL3780579)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCC(C)(C)c1cccc2ccc(Br)cc12
Show InChI InChI=1S/C26H32BrN3O3S/c1-26(2,23-7-5-6-19-8-9-20(27)16-22(19)23)18-28-34(31,32)21-10-11-25(33-4)24(17-21)30-14-12-29(3)13-15-30/h5-11,16-17,28H,12-15,18H2,1-4H3
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n/an/a 0.310n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328393
PNG
(3-(difluoromethyl)-6-bromo-1-((4-methoxy-3-(pipera...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Br)cc12
Show InChI InChI=1S/C20H20BrF2N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-4-2-13(21)10-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.330n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50417932
PNG
(CHEMBL1668587 | US8618114, 1.2.4(1))
Show SMILES CNc1nn2c(COC)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)20-16(18-11)14(15(17-2)19-20)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
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n/an/a 0.340n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158027
PNG
(4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-i...)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328399
PNG
(3-(difluoromethyl)-1-((4-methoxy-3-(piperazin-1-yl...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O3S/c1-32-19-5-3-14(11-18(19)28-8-6-27-7-9-28)33(30,31)29-12-16(20(22)23)15-4-2-13(10-17(15)29)21(24,25)26/h2-5,10-12,20,27H,6-9H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328402
PNG
(1-((3-(4-cyclopropylpiperazin-1-yl)-4-methoxypheny...)
Show SMILES COc1ccc(cc1N1CCN(CC1)C1CC1)S(=O)(=O)n1cc(C(F)F)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C24H24F5N3O3S/c1-35-22-7-5-17(13-21(22)31-10-8-30(9-11-31)16-3-4-16)36(33,34)32-14-19(23(25)26)18-6-2-15(12-20(18)32)24(27,28)29/h2,5-7,12-14,16,23H,3-4,8-11H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328408
PNG
(5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)su...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C)c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN3O3S/c1-14-13-24(18-5-3-15(21)11-17(14)18)28(25,26)16-4-6-20(27-2)19(12-16)23-9-7-22-8-10-23/h3-6,11-13,22H,7-10H2,1-2H3
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n/an/a 0.430n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328366
PNG
(4-fluoro-1-((4-methoxy-3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1ccc2c(F)cccc12
Show InChI InChI=1S/C20H22FN3O3S/c1-22-10-12-23(13-11-22)19-14-15(6-7-20(19)27-2)28(25,26)24-9-8-16-17(21)4-3-5-18(16)24/h3-9,14H,10-13H2,1-2H3
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n/an/a 0.430n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328412
PNG
(6-chloro-3-ethyl-1-((4-methoxy-3-(piperazin-1-yl)p...)
Show SMILES CCc1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C21H24ClN3O3S/c1-3-15-14-25(19-12-16(22)4-6-18(15)19)29(26,27)17-5-7-21(28-2)20(13-17)24-10-8-23-9-11-24/h4-7,12-14,23H,3,8-11H2,1-2H3
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n/an/a 0.450n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156226
PNG
(CHEMBL3781452)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCc1ccc(F)c2ccccc12
Show InChI InChI=1S/C24H28FN3O3S/c1-27-13-15-28(16-14-27)23-17-19(8-10-24(23)31-2)32(29,30)26-12-11-18-7-9-22(25)21-6-4-3-5-20(18)21/h3-10,17,26H,11-16H2,1-2H3
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n/an/a 0.460n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328383
PNG
(3-(difluoromethyl)-5-fluoro-1-((4-methoxy-3-(piper...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2cc(F)ccc12
Show InChI InChI=1S/C20H20F3N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-10-13(21)2-4-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.460n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328398
PNG
(6-chloro-1-((3-(4-cyclobutylpiperazin-1-yl)-4-meth...)
Show SMILES COc1ccc(cc1N1CCN(CC1)C1CCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClF2N3O3S/c1-33-23-8-6-18(14-22(23)29-11-9-28(10-12-29)17-3-2-4-17)34(31,32)30-15-20(24(26)27)19-7-5-16(25)13-21(19)30/h5-8,13-15,17,24H,2-4,9-12H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156199
PNG
(CHEMBL3779904)
Show SMILES COc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(c3)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C25H31N3O4S/c1-27-13-15-28(16-14-27)24-18-22(9-10-25(24)32-3)33(29,30)26-12-11-20-6-4-5-19-7-8-21(31-2)17-23(19)20/h4-10,17-18,26H,11-16H2,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328404
PNG
(5,6-dichloro-3-(difluoromethyl)-1-((4-methoxy-3-(p...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C20H19Cl2F2N3O3S/c1-30-19-3-2-12(8-18(19)26-6-4-25-5-7-26)31(28,29)27-11-14(20(23)24)13-9-15(21)16(22)10-17(13)27/h2-3,8-11,20,25H,4-7H2,1H3
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n/an/a 0.540n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328387
PNG
(5-bromo-3-(difluoromethyl)-1-((4-methoxy-3-(pipera...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2cc(Br)ccc12
Show InChI InChI=1S/C20H20BrF2N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-10-13(21)2-4-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.550n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111787
PNG
(US8618114, 1.2.22(2).HCl)
Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
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n/an/a 0.560n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328382
PNG
(7-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)su...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1ccc2cccc(F)c12
Show InChI InChI=1S/C19H20FN3O3S/c1-26-18-6-5-15(13-17(18)22-11-8-21-9-12-22)27(24,25)23-10-7-14-3-2-4-16(20)19(14)23/h2-7,10,13,21H,8-9,11-12H2,1H3
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n/an/a 0.570n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328407
PNG
(6-bromo-3-(difluoromethyl)-1-((4-methoxy-3-(pipera...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1nc(C(F)F)c2ccc(Br)cc12
Show InChI InChI=1S/C19H19BrF2N4O3S/c1-29-17-5-3-13(11-16(17)25-8-6-23-7-9-25)30(27,28)26-15-10-12(20)2-4-14(15)18(24-26)19(21)22/h2-5,10-11,19,23H,6-9H2,1H3
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328362
PNG
(1-((4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)sul...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1cc(C#N)c2ccccc12
Show InChI InChI=1S/C21H22N4O3S/c1-23-9-11-24(12-10-23)20-13-17(7-8-21(20)28-2)29(26,27)25-15-16(14-22)18-5-3-4-6-19(18)25/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 0.590n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50169599
PNG
(1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328413
PNG
(6-bromo-3-ethyl-1-((4-methoxy-3-(piperazin-1-yl)ph...)
Show SMILES CCc1cn(c2cc(Br)ccc12)S(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C21H24BrN3O3S/c1-3-15-14-25(19-12-16(22)4-6-18(15)19)29(26,27)17-5-7-21(28-2)20(13-17)24-10-8-23-9-11-24/h4-7,12-14,23H,3,8-11H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328411
PNG
(3-ethyl-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)p...)
Show SMILES CCc1cn(c2cc(F)ccc12)S(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
Show InChI InChI=1S/C21H24FN3O3S/c1-3-15-14-25(19-12-16(22)4-6-18(15)19)29(26,27)17-5-7-21(28-2)20(13-17)24-10-8-23-9-11-24/h4-7,12-14,23H,3,8-11H2,1-2H3
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n/an/a 0.630n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328385
PNG
(5-chloro-3-(difluoromethyl)-1-((4-methoxy-3-(piper...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H20ClF2N3O3S/c1-29-19-5-3-14(11-18(19)25-8-6-24-7-9-25)30(27,28)26-12-16(20(22)23)15-10-13(21)2-4-17(15)26/h2-5,10-12,20,24H,6-9H2,1H3
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n/an/a 0.640n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111788
PNG
(US8618114, 1.2.22(3).HCl)
Show SMILES CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)
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n/an/a 0.645n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328409
PNG
(5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)su...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H22ClN3O3S/c1-14-13-24(18-5-3-15(21)11-17(14)18)28(25,26)16-4-6-20(27-2)19(12-16)23-9-7-22-8-10-23/h3-6,11-13,22H,7-10H2,1-2H3
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n/an/a 0.670n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM328378
PNG
(6-fluoro-1-((4-methoxy-3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)n1ccc2ccc(F)cc12
Show InChI InChI=1S/C20H22FN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 0.670n/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as fo...


US Patent US9663498 (2017)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM111785
PNG
(US8618114, 1.2.22(1).HCl)
Show SMILES CNc1nn2c(C)c(N)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N5O2S/c1-9-12(16)10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)11-7-5-4-6-8-11/h4-8H,16H2,1-3H3,(H,17,19)
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n/an/a 0.670n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...


US Patent US8618114 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HD9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156200
PNG
(CHEMBL3780274)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCCc1cccc2ccc(F)cc12
Show InChI InChI=1S/C23H26FN3O3S/c1-30-23-8-7-20(16-22(23)27-13-11-25-12-14-27)31(28,29)26-10-9-18-4-2-3-17-5-6-19(24)15-21(17)18/h2-8,15-16,25-26H,9-14H2,1H3
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n/an/a 0.690n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158048
PNG
(1-(2-Chloro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H19ClN2O2S/c1-22-12-10-15(11-13-22)17-14-23(19-8-4-2-6-16(17)19)26(24,25)20-9-5-3-7-18(20)21/h2-10,14H,11-13H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50139789
PNG
(CHEMBL353389 | {3-[2-(3-Bromo-phenyl)-1H-indol-3-y...)
Show SMILES CN(C)CCCc1c([nH]c2ccccc12)-c1cccc(Br)c1
Show InChI InChI=1S/C19H21BrN2/c1-22(2)12-6-10-17-16-9-3-4-11-18(16)21-19(17)14-7-5-8-15(20)13-14/h3-5,7-9,11,13,21H,6,10,12H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of the compound against human 5-hydroxytryptamine 6 receptor


J Med Chem 47: 888-99 (2004)


Article DOI: 10.1021/jm0309452
BindingDB Entry DOI: 10.7270/Q2SN08D0
More data for this
Ligand-Target Pair
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