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Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'stock' and Initial = 'jr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158032
PNG
(1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro...)
Show SMILES Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H17ClN2O2S/c20-17-6-2-4-8-19(17)25(23,24)22-13-16(14-9-11-21-12-10-14)15-5-1-3-7-18(15)22/h1-9,13,21H,10-12H2
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158044
PNG
(1-(3-Chloro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1 |c:4|
Show InChI InChI=1S/C20H19ClN2O2S/c1-22-11-9-15(10-12-22)19-14-23(20-8-3-2-7-18(19)20)26(24,25)17-6-4-5-16(21)13-17/h2-9,13-14H,10-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158026
PNG
(1-(2-Fluoro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro...)
Show SMILES Fc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H17FN2O2S/c20-17-6-2-4-8-19(17)25(23,24)22-13-16(14-9-11-21-12-10-14)15-5-1-3-7-18(15)22/h1-9,13,21H,10-12H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM34147
PNG
(CHEMBL425196 | pyrrolidinylindole, 6)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172305
PNG
(1-(4-Iodo-benzenesulfonyl)-3-(1-methyl-pyrrolidin-...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C19H19IN2O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172283
PNG
(4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
Show InChI InChI=1S/C25H25N3O2S/c26-21-10-12-22(13-11-21)31(29,30)28-18-24(23-8-4-5-9-25(23)28)20-14-15-27(17-20)16-19-6-2-1-3-7-19/h1-13,18,20H,14-17,26H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM21351
PNG
(4-{[3-(2-aminoethyl)-1H-indole-1-]sulfonyl}aniline...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H17N3O2S/c17-10-9-12-11-19(16-4-2-1-3-15(12)16)22(20,21)14-7-5-13(18)6-8-14/h1-8,11H,9-10,17-18H2
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1 -50.9n/an/a 91n/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)


Article DOI: 10.1021/jm070521y
BindingDB Entry DOI: 10.7270/Q23R0R5G
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158031
PNG
(4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-in...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(F)ccc12 |t:14|
Show InChI InChI=1S/C19H18FN3O2S/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)26(24,25)16-4-2-15(21)3-5-16/h1-7,11-12,22H,8-10,21H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158054
PNG
(4-[7-(1,2,3,6-Tetrahydro-pyridin-4-yl)-[1,3]dioxol...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc3OCOc3cc12 |t:14|
Show InChI InChI=1S/C20H19N3O4S/c21-14-1-3-15(4-2-14)28(24,25)23-11-17(13-5-7-22-8-6-13)16-9-19-20(10-18(16)23)27-12-26-19/h1-5,9-11,22H,6-8,12,21H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172255
PNG
(1-(4-Chloro-benzenesulfonyl)-3-(1-methyl-pyrrolidi...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172258
PNG
(4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12,20H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34148
PNG
(CHEMBL371292 | piperidinylindole, 7)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2CCCNC2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)21-14-18(15-7-6-12-20-13-15)17-10-4-5-11-19(17)21/h1-5,8-11,14-15,20H,6-7,12-13H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172310
PNG
((1-Benzenesulfonyl-5-methoxy-1H-indol-3-ylmethyl)-...)
Show SMILES COc1ccc2n(cc(CN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)12-14-13-20(18-10-9-15(23-3)11-17(14)18)24(21,22)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM21358
PNG
(2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
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2 -49.2n/an/a 6.5n/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)


Article DOI: 10.1021/jm070521y
BindingDB Entry DOI: 10.7270/Q23R0R5G
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158040
PNG
(1-Benzenesulfonyl-3-(1-methyl-1,2,3,6-tetrahydro-p...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2O2S/c1-21-13-11-16(12-14-21)19-15-22(20-10-6-5-9-18(19)20)25(23,24)17-7-3-2-4-8-17/h2-11,15H,12-14H2,1H3
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158041
PNG
(1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158047
PNG
(4-(5-Fluoro-3-piperidin-4-yl-indole-1-sulfonyl)-ph...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCNCC2)c2cc(F)ccc12
Show InChI InChI=1S/C19H20FN3O2S/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)26(24,25)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10,21H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158023
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H19N3O2S/c20-15-5-7-16(8-6-15)25(23,24)22-13-18(14-9-11-21-12-10-14)17-3-1-2-4-19(17)22/h1-9,13,21H,10-12,20H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172286
PNG
(1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidi...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172314
PNG
(1-(3-Chloro-benzenesulfonyl)-3-piperidin-3-yl-1H-i...)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cc(C2CCCNC2)c2ccccc12
Show InChI InChI=1S/C19H19ClN2O2S/c20-15-6-3-7-16(11-15)25(23,24)22-13-18(14-5-4-10-21-12-14)17-8-1-2-9-19(17)22/h1-3,6-9,11,13-14,21H,4-5,10,12H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34148
PNG
(CHEMBL371292 | piperidinylindole, 7)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2CCCNC2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)21-14-18(15-7-6-12-20-13-15)17-10-4-5-11-19(17)21/h1-5,8-11,14-15,20H,6-7,12-13H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158041
PNG
(1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158038
PNG
(1-Benzenesulfonyl-5-fluoro-3-(1,2,3,6-tetrahydro-p...)
Show SMILES Fc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccccc1 |t:8|
Show InChI InChI=1S/C19H17FN2O2S/c20-15-6-7-19-17(12-15)18(14-8-10-21-11-9-14)13-22(19)25(23,24)16-4-2-1-3-5-16/h1-8,12-13,21H,9-11H2
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2.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158030
PNG
(4-[6-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-in...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccc(Cl)cc12 |t:14|
Show InChI InChI=1S/C19H18ClN3O2S/c20-14-1-6-17-18(13-7-9-22-10-8-13)12-23(19(17)11-14)26(24,25)16-4-2-15(21)3-5-16/h1-7,11-12,22H,8-10,21H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158042
PNG
(1-(5-Chloro-thiophene-2-sulfonyl)-3-(1,2,3,6-tetra...)
Show SMILES Clc1ccc(s1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C17H15ClN2O2S2/c18-16-5-6-17(23-16)24(21,22)20-11-14(12-7-9-19-10-8-12)13-3-1-2-4-15(13)20/h1-7,11,19H,8-10H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50158024
PNG
(5-Fluoro-1-(4-fluoro-benzenesulfonyl)-3-(1,2,3,6-t...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(F)ccc12 |t:14|
Show InChI InChI=1S/C19H16F2N2O2S/c20-14-1-4-16(5-2-14)26(24,25)23-12-18(13-7-9-22-10-8-13)17-11-15(21)3-6-19(17)23/h1-7,11-12,22H,8-10H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
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 |t:9|
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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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172311
PNG
(5-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]...)
Show SMILES Cc1nc(N)sc1S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S2/c1-16-22(30-23(24)25-16)31(28,29)27-15-20(19-9-5-6-10-21(19)27)18-11-12-26(14-18)13-17-7-3-2-4-8-17/h2-10,15,18H,11-14H2,1H3,(H2,24,25)
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172313
PNG
(1-(5-Chloro-thiophene-2-sulfonyl)-3-piperidin-3-yl...)
Show SMILES Clc1ccc(s1)S(=O)(=O)n1cc(C2CCCNC2)c2ccccc12
Show InChI InChI=1S/C17H17ClN2O2S2/c18-16-7-8-17(23-16)24(21,22)20-11-14(12-4-3-9-19-10-12)13-5-1-2-6-15(13)20/h1-2,5-8,11-12,19H,3-4,9-10H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34148
PNG
(CHEMBL371292 | piperidinylindole, 7)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2CCCNC2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-24(23,16-8-2-1-3-9-16)21-14-18(15-7-6-12-20-13-15)17-10-4-5-11-19(17)21/h1-5,8-11,14-15,20H,6-7,12-13H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309848
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158039
PNG
(4-(6-Chloro-3-piperidin-4-yl-indole-1-sulfonyl)-ph...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCNCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN3O2S/c20-14-1-6-17-18(13-7-9-22-10-8-13)12-23(19(17)11-14)26(24,25)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10,21H2
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172261
PNG
(1-(5-Bromo-thiophene-2-sulfonyl)-3-((S)-1-methyl-p...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C18H19BrN2O2S2/c1-20-10-4-5-14(20)11-13-12-21(16-7-3-2-6-15(13)16)25(22,23)18-9-8-17(19)24-18/h2-3,6-9,12,14H,4-5,10-11H2,1H3/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172271
PNG
(1-(3,4-Dichloro-benzenesulfonyl)-3-(1-methyl-pyrro...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N2O2S/c1-22-9-8-13(11-22)16-12-23(19-5-3-2-4-15(16)19)26(24,25)14-6-7-17(20)18(21)10-14/h2-7,10,12-13H,8-9,11H2,1H3
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172284
PNG
(4-[3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-indole-1...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H23N3O2S/c1-22-12-4-5-17(22)13-15-14-23(20-7-3-2-6-19(15)20)26(24,25)18-10-8-16(21)9-11-18/h2-3,6-11,14,17H,4-5,12-13,21H2,1H3/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172320
PNG
(1-(4-Iodo-benzenesulfonyl)-3-((S)-1-methyl-pyrroli...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C20H21IN2O2S/c1-22-12-4-5-17(22)13-15-14-23(20-7-3-2-6-19(15)20)26(24,25)18-10-8-16(21)9-11-18/h2-3,6-11,14,17H,4-5,12-13H2,1H3/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158028
PNG
(5-Fluoro-1-(naphthalene-1-sulfonyl)-3-(1,2,3,6-tet...)
Show SMILES Fc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cccc2ccccc12 |t:8|
Show InChI InChI=1S/C23H19FN2O2S/c24-18-8-9-22-20(14-18)21(17-10-12-25-13-11-17)15-26(22)29(27,28)23-7-3-5-16-4-1-2-6-19(16)23/h1-10,14-15,25H,11-13H2
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4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172278
PNG
(1-(5-Bromo-thiophene-2-sulfonyl)-3-((R)-1-methyl-p...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C18H19BrN2O2S2/c1-20-10-4-5-14(20)11-13-12-21(16-7-3-2-6-15(13)16)25(22,23)18-9-8-17(19)24-18/h2-3,6-9,12,14H,4-5,10-11H2,1H3/t14-/m1/s1
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4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172297
PNG
(1-(3-Chloro-benzenesulfonyl)-3-((S)-1-methyl-pyrro...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN2O2S/c1-22-11-5-7-17(22)12-15-14-23(20-10-3-2-9-19(15)20)26(24,25)18-8-4-6-16(21)13-18/h2-4,6,8-10,13-14,17H,5,7,11-12H2,1H3/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172292
PNG
(1-(5-Chloro-thiophene-2-sulfonyl)-3-((S)-1-methyl-...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C18H19ClN2O2S2/c1-20-10-4-5-14(20)11-13-12-21(16-7-3-2-6-15(13)16)25(22,23)18-9-8-17(19)24-18/h2-3,6-9,12,14H,4-5,10-11H2,1H3/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172296
PNG
(1-Benzenesulfonyl-3-(1,2,5,6-tetrahydro-pyridin-3-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCCNC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-8-2-1-3-9-16)21-14-18(15-7-6-12-20-13-15)17-10-4-5-11-19(17)21/h1-5,7-11,14,20H,6,12-13H2
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4.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158036
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES O=S(=O)(c1nccc2sncc12)n1cc(C2=CCNCC2)c2ccccc12 |t:17|
Show InChI InChI=1S/C19H16N4O2S2/c24-27(25,19-15-11-22-26-18(15)7-10-21-19)23-12-16(13-5-8-20-9-6-13)14-3-1-2-4-17(14)23/h1-5,7,10-12,20H,6,8-9H2
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50169601
PNG
(1-Benzenesulfonyl-3-((S)-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-/m0/s1
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172260
PNG
(1-(3,4-Dimethoxy-benzenesulfonyl)-3-(1-methyl-pyrr...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(C2CCN(C)C2)c2ccccc12
Show InChI InChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309847
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158022
PNG
(1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H19FN2O2S/c1-22-12-10-15(11-13-22)19-14-23(20-5-3-2-4-18(19)20)26(24,25)17-8-6-16(21)7-9-17/h2-10,14H,11-13H2,1H3
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


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))
BDBM50172270
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1-(toluene-...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H24N2O2S/c1-16-9-11-19(12-10-16)26(24,25)23-15-17(14-18-6-5-13-22(18)2)20-7-3-4-8-21(20)23/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/t18-/m0/s1
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM21345
PNG
(2-{1-[(3-chlorobenzene)sulfonyl]-1H-indol-3-yl}eth...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN2O2S/c17-13-4-3-5-14(10-13)22(20,21)19-11-12(8-9-18)15-6-1-2-7-16(15)19/h1-7,10-11H,8-9,18H2
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6 -46.5n/an/a 109n/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)


Article DOI: 10.1021/jm070521y
BindingDB Entry DOI: 10.7270/Q23R0R5G
More data for this
Ligand-Target Pair
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