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PubMed code 11055342

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093055
PNG
(CHEMBL443796 | {2-[5-Methoxy-1-(naphthalene-1-sulf...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O3S/c1-24(2)14-13-18-16-25(22-12-11-19(28-3)15-21(18)22)29(26,27)23-10-6-8-17-7-4-5-9-20(17)23/h4-12,15-16H,13-14H2,1-3H3
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 0.900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093046
PNG
(CHEMBL75734 | {2-[1-(2,5-Dimethoxy-benzenesulfonyl...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2cc(OC)ccc12
Show InChI InChI=1S/C21H26N2O5S/c1-22(2)11-10-15-14-23(19-8-6-16(26-3)12-18(15)19)29(24,25)21-13-17(27-4)7-9-20(21)28-5/h6-9,12-14H,10-11H2,1-5H3
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 1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093054
PNG
(CHEMBL75010 | {2-[5-Methoxy-1-(naphthalene-2-sulfo...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-24(2)13-12-19-16-25(23-11-9-20(28-3)15-22(19)23)29(26,27)21-10-8-17-6-4-5-7-18(17)14-21/h4-11,14-16H,12-13H2,1-3H3
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 1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093053
PNG
(CHEMBL72574 | {2-[1-(4-Chloro-benzenesulfonyl)-5-m...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11H2,1-3H3
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 3.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093048
PNG
(CHEMBL72554 | {2-[7-Methoxy-1-(naphthalene-2-sulfo...)
Show SMILES COc1cccc2c(CCN(C)C)cn(c12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-24(2)14-13-19-16-25(23-21(19)9-6-10-22(23)28-3)29(26,27)20-12-11-17-7-4-5-8-18(17)15-20/h4-12,15-16H,13-14H2,1-3H3
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 5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093047
PNG
(CHEMBL75758 | {2-[1-(2,5-Dimethoxy-benzenesulfonyl...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2c(OC)cccc12
Show InChI InChI=1S/C21H26N2O5S/c1-22(2)12-11-15-14-23(17-7-6-8-19(28-5)21(15)17)29(24,25)20-13-16(26-3)9-10-18(20)27-4/h6-10,13-14H,11-12H2,1-5H3
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 7.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093045
PNG
(CHEMBL76466 | {2-[5-Methoxy-1-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CCN(C)C)c2cc(OC)ccc12
Show InChI InChI=1S/C20H24N2O4S/c1-21(2)12-11-15-14-22(20-10-7-17(26-4)13-19(15)20)27(23,24)18-8-5-16(25-3)6-9-18/h5-10,13-14H,11-12H2,1-4H3
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 8n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093052
PNG
(CHEMBL419824 | {2-[1-(2,5-Dimethoxy-benzenesulfony...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2ccc(OC)cc12
Show InChI InChI=1S/C21H26N2O5S/c1-22(2)11-10-15-14-23(19-12-16(26-3)6-8-18(15)19)29(24,25)21-13-17(27-4)7-9-20(21)28-5/h6-9,12-14H,10-11H2,1-5H3
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 9.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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 16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))		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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 23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for rat 5-hydroxytryptamine 2C receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093049
PNG
(CHEMBL75029 | {2-[1-(4-Chloro-benzenesulfonyl)-7-m...)
Show SMILES COc1cccc2c(CCN(C)C)cn(c12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O3S/c1-21(2)12-11-14-13-22(19-17(14)5-4-6-18(19)25-3)26(23,24)16-9-7-15(20)8-10-16/h4-10,13H,11-12H2,1-3H3
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 45n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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 78n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093051
PNG
(CHEMBL74378 | {2-[7-Methoxy-1-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CCN(C)C)c2cccc(OC)c12
Show InChI InChI=1S/C20H24N2O4S/c1-21(2)13-12-15-14-22(20-18(15)6-5-7-19(20)26-4)27(23,24)17-10-8-16(25-3)9-11-17/h5-11,14H,12-13H2,1-4H3
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 93n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		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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 130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for rat 5-hydroxytryptamine 2A receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50093050
PNG
(CHEMBL306569 | {2-[1-(2,5-Dimethoxy-benzenesulfony...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2cccc(OC)c12
Show InChI InChI=1S/C21H26N2O5S/c1-22(2)12-11-15-14-23(21-17(15)7-6-8-19(21)28-5)29(24,25)20-13-16(26-3)9-10-18(20)27-4/h6-10,13-14H,11-12H2,1-5H3
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 183n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid die...

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(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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 600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 7 receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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 702n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(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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 4.22E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1E receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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 9.21E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1B receptor

Bioorg Med Chem Lett 10: 2295-9 (2001)


BindingDB Entry DOI: 10.7270/Q29C6WP6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%