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Compile Data Set for Download or QSAR

Found 825 hits with Last Name = 'cole' and Initial = 'dc'   
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
Glutamate carboxypeptidase II


(Rattus norvegicus)
BDBM17659
PNG
((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...)
Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
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0.275n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of the Folate hydrolase


J Med Chem 39: 619-22 (1996)


Article DOI: 10.1021/jm950801q
BindingDB Entry DOI: 10.7270/Q2FN16V8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300820
PNG
(CHEMBL565723 | N-(2-{3-[(3-Chlorophenyl)sulfonyl]-...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159192
PNG
(4-Iodo-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(I)cc3)cc12
Show InChI InChI=1S/C20H22IN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
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))
BDBM50159187
PNG
(3-Chloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
Show InChI InChI=1S/C20H22ClN3O2S/c1-24-9-3-5-17(24)10-14-13-22-20-8-7-16(12-19(14)20)23-27(25,26)18-6-2-4-15(21)11-18/h2,4,6-8,11-13,17,22-23H,3,5,9-10H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34145
PNG
(pyrrolidinylindole, (R)-5b)
Show SMILES [H][C@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)cc23)CCCN1C |r|
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-10-2-3-17(27)11-14-13-25-20-9-6-16(12-19(14)20)26-30(28,29)18-7-4-15(5-8-18)21(22,23)24/h4-9,12-13,17,25-26H,2-3,10-11H2,1H3/t17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300845
PNG
(CHEMBL565746 | N-(2-{3-[(6-Chloroimidazo[2,1-b][1,...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H14ClN5O2S2/c1-17-5-6-20-9-11(10-3-2-4-18-13(10)20)25(22,23)14-12(16)19-15-21(14)7-8-24-15/h2-4,7-9,17H,5-6H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300842
PNG
(CHEMBL565724 | N-(2-{3-[(6-Chloroimidazo[2,1-b][1,...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C16H16ClN5O2S2/c1-20(2)6-7-21-10-12(11-4-3-5-18-14(11)21)26(23,24)15-13(17)19-16-22(15)8-9-25-16/h3-5,8-10H,6-7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300843
PNG
(CHEMBL565976 | N-(2-{3-[(3-Fluorophenyl)sulfonyl]-...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3
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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 human cloned 5HT6 receptor expressed in HeLa cells


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159207
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C20H23N3O2S/c1-23-11-5-6-17(23)12-15-14-21-20-10-9-16(13-19(15)20)22-26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17,21-22H,5-6,11-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300838
PNG
(CHEMBL565552 | N,N-Dimethyl-N-{2-[3-(1-naphthylsul...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H21N3O2S/c1-23(2)13-14-24-15-20(18-10-6-12-22-21(18)24)27(25,26)19-11-5-8-16-7-3-4-9-17(16)19/h3-12,15H,13-14H2,1-2H3
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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 human cloned 5HT6 receptor expressed in HeLa cells


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
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))
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))
BDBM50159201
PNG
(2-Fluoro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3F)cc12
Show InChI InChI=1S/C20H22FN3O2S/c1-24-10-4-5-16(24)11-14-13-22-19-9-8-15(12-17(14)19)23-27(25,26)20-7-3-2-6-18(20)21/h2-3,6-9,12-13,16,22-23H,4-5,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159199
PNG
(4-Isopropyl-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-in...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C22H27N3O2S/c1-15(2)16-5-8-20(9-6-16)28(26,27)25-19-7-10-22-21(13-19)17(14-24-22)12-18-4-3-11-23-18/h5-10,13-15,18,23-25H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159195
PNG
(Naphthalene-2-sulfonic acid [3-((R)-1-methyl-pyrro...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159194
PNG
(4-Fluoro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H22FN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159180
PNG
(2-Chloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C20H22ClN3O2S/c1-24-10-4-5-16(24)11-14-13-22-19-9-8-15(12-17(14)19)23-27(25,26)20-7-3-2-6-18(20)21/h2-3,6-9,12-13,16,22-23H,4-5,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159182
PNG
(4-Isopropyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmeth...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3C)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-16(2)17-6-9-21(10-7-17)29(27,28)25-19-8-11-23-22(14-19)18(15-24-23)13-20-5-4-12-26(20)3/h6-11,14-16,20,24-25H,4-5,12-13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159188
PNG
(4-Methoxy-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3C)c2c1
Show InChI InChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159178
PNG
(4-Methyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
Show InChI InChI=1S/C21H25N3O2S/c1-15-5-8-19(9-6-15)27(25,26)23-17-7-10-21-20(13-17)16(14-22-21)12-18-4-3-11-24(18)2/h5-10,13-14,18,22-23H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159209
PNG
(3,5-Dimethyl-isoxazole-4-sulfonic acid [3-((R)-1-m...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3c(C)noc3C)cc12
Show InChI InChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159195
PNG
(Naphthalene-2-sulfonic acid [3-((R)-1-methyl-pyrro...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159208
PNG
(3,4-Dichloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmet...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-25-8-2-3-15(25)9-13-12-23-20-7-4-14(10-17(13)20)24-28(26,27)16-5-6-18(21)19(22)11-16/h4-7,10-12,15,23-24H,2-3,8-9H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159203
PNG
(4-Iodo-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol-5...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20IN3O2S/c20-14-3-6-17(7-4-14)26(24,25)23-16-5-8-19-18(11-16)13(12-22-19)10-15-2-1-9-21-15/h3-8,11-12,15,21-23H,1-2,9-10H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
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
Catechol O-methyltransferase (MB-COMT)


(Homo sapiens (Human))
BDBM50019329
PNG
(CHEMBL1089318)
Show SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
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1n/an/an/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human cloned COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liq...


J Med Chem 57: 5459-63 (2014)


Article DOI: 10.1021/jm500475k
BindingDB Entry DOI: 10.7270/Q2G73G9B
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))
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))
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))
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))
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))
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))
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
Catechol O-methyltransferase


(Mus musculus)
BDBM50019329
PNG
(CHEMBL1089318)
Show SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid sci...


J Med Chem 57: 5459-63 (2014)


Article DOI: 10.1021/jm500475k
BindingDB Entry DOI: 10.7270/Q2G73G9B
More data for this
Ligand-Target Pair
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50019329
PNG
(CHEMBL1089318)
Show SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...


J Med Chem 57: 5459-63 (2014)


Article DOI: 10.1021/jm500475k
BindingDB Entry DOI: 10.7270/Q2G73G9B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50300839
PNG
(2-[3-(1-Naphthylsulfonyl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2
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1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Rattus norvegicus)
BDBM50048694
PNG
(2-[(2-Carboxy-ethyl)-hydroxy-phosphinoylmethyl]-pe...)
Show SMILES OC(=O)CCC(CP(O)(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C9H15O8P/c10-7(11)2-1-6(9(14)15)5-18(16,17)4-3-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
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1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of the Folate hydrolase


J Med Chem 39: 619-22 (1996)


Article DOI: 10.1021/jm950801q
BindingDB Entry DOI: 10.7270/Q2FN16V8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50159204
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C23H24ClN3O2S2/c1-14-19-11-16(24)5-8-22(19)30-23(14)31(28,29)26-17-6-7-21-20(12-17)15(13-25-21)10-18-4-3-9-27(18)2/h5-8,11-13,18,25-26H,3-4,9-10H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
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))
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))
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))
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))
BDBM50159196
PNG
(3-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2
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2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
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