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PubMed code 12825922

Compile Data Set for Download or QSAR

Found 207 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 (5-HT6)


(Homo sapiens (human))
BDBM50130285
PNG
(6-Bromo-1-(4-methoxy-3-piperazin-1-yl-benzenesulfo...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1ccc2ccc(Br)cc12
Show InChI InChI=1S/C19H20BrN3O3S/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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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130286
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50090529
PNG
(2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show InChI InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130275
PNG
(4-(3-(2-(dimethylamino)ethyl)-1H-indol-1-ylsulfony...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130270
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50087033
PNG
((1R,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...)
Show SMILES CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50087029
PNG
((1S,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexah...)
Show SMILES CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50106269
PNG
((2-{2-[3-(3-Methoxy-benzyl)-[1,2,4]oxadiazol-5-yl]...)
Show SMILES COc1cccc(Cc2noc(n2)-c2[nH]c3ccccc3c2CCN(C)C)c1
Show InChI InChI=1S/C22H24N4O2/c1-26(2)12-11-18-17-9-4-5-10-19(17)23-21(18)22-24-20(25-28-22)14-15-7-6-8-16(13-15)27-3/h4-10,13,23H,11-12,14H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130264
PNG
(5-(1,4-diazepan-1-yl)-2-(4-fluorophenylsulfonyl)-N...)
Show SMILES CNc1cc(ccc1S(=O)(=O)c1ccc(F)cc1)N1CCCNCC1
Show InChI InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-11-2-9-21-10-12-22)5-8-18(17)25(23,24)16-6-3-14(19)4-7-16/h3-8,13,20-21H,2,9-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130274
PNG
((9-Benzenesulfonyl-6-methoxy-2,3,4,9-tetrahydro-1H...)
Show SMILES COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O3S/c1-23(2)15-16-8-7-11-21-22(16)19-14-17(27-3)12-13-20(19)24(21)28(25,26)18-9-5-4-6-10-18/h4-6,9-10,12-14,16H,7-8,11,15H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50130269
PNG
((6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated using [125I]-2-iodo LSD as radioligand


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21342
PNG
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130261
PNG
(6-(2-{2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-ethy...)
Show SMILES Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C25H30ClN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130263
PNG
(4-[3-(2-Dimethylamino-ethyl)-5-methoxy-indole-1-su...)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C19H23N3O3S/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,10-11,20H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards rodent 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
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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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
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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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130297
PNG
(6-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrro...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C20H29N3O2S/c1-16-7-12-22(13-8-16)14-9-18-3-2-11-23(18)26(24,25)19-5-4-17-6-10-21-20(17)15-19/h4-6,10,15-16,18,21H,2-3,7-9,11-14H2,1H3/t18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]LSD-labeled human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50130266
PNG
(8-Piperazin-1-yl-naphthalen-2-ol | CHEMBL24462)
Show SMILES Oc1ccc2cccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C14H16N2O/c17-12-5-4-11-2-1-3-14(13(11)10-12)16-8-6-15-7-9-16/h1-5,10,15,17H,6-9H2
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rodent 5-hydroxytryptamine 5A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50240514
PNG
((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...)
Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM34149
PNG
(CHEMBL94422 | N-benzenesulfonylgramine antagonist,...)
Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O2S/c1-18(2)12-14-13-19(17-11-7-6-10-16(14)17)22(20,21)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098549
PNG
((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31
Show InChI InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098549
PNG
((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31
Show InChI InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130276
PNG
(CHEMBL553794 | N-Methyl-2-{2-[4-(2-oxo-1,2,4,5-tet...)
Show SMILES CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Show InChI InChI=1S/C29H34N4O2/c1-30-26(34)19-33-24-12-3-2-10-21(24)22-13-17-32(18-25(22)33)16-5-4-14-29-15-7-9-20-8-6-11-23(27(20)29)31-28(29)35/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,30,34)(H,31,35)
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards rodent 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50130267
PNG
(CHEMBL98511 | Octahydro-pyrido[1,2-a]pyrazine)
Show SMILES C1CCN2CCNCC2C1
Show InChI InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130272
PNG
(2a-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2a,3,4,5-t...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCN1CCN(CC1)c1ccccc1)c23
Show InChI InChI=1S/C24H29N3O/c28-23-24(12-5-8-19-7-4-11-21(25-23)22(19)24)13-6-14-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-4,7,9-11H,5-6,8,12-18H2,(H,25,28)
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50073056
PNG
(4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-p...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C18H22BrN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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 towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 207 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%