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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50003714   
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 1D


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475187
PNG
(CHEMBL191895)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Show InChI InChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475184
PNG
(CHEMBL2113061)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-5-7-22-24(27-19)3-2-4-25(22)30-16-15-28-11-13-29(14-12-28)18-20-6-8-23-21(17-20)9-10-26-23/h2-10,17,26H,11-16,18H2,1H3
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475176
PNG
(CHEMBL363413)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C23H25Cl2N3O/c1-17-5-7-20-22(26-17)3-2-4-23(20)29-14-13-27-9-11-28(12-10-27)16-18-15-19(24)6-8-21(18)25/h2-8,15H,9-14,16H2,1H3
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475188
PNG
(CHEMBL365810)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475176
PNG
(CHEMBL363413)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C23H25Cl2N3O/c1-17-5-7-20-22(26-17)3-2-4-23(20)29-14-13-27-9-11-28(12-10-27)16-18-15-19(24)6-8-21(18)25/h2-8,15H,9-14,16H2,1H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475190
PNG
(CHEMBL192176)
Show SMILES Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Show InChI InChI=1S/C25H28N4O3/c1-19-5-7-22-23(26-19)3-2-4-25(22)31-16-15-27-11-13-28(14-12-27)18-29-10-9-20-17-21(30)6-8-24(20)32-29/h2-5,7-10,17H,6,11-16,18H2,1H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475184
PNG
(CHEMBL2113061)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-5-7-22-24(27-19)3-2-4-25(22)30-16-15-28-11-13-29(14-12-28)18-20-6-8-23-21(17-20)9-10-26-23/h2-10,17,26H,11-16,18H2,1H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475186
PNG
(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475177
PNG
(CHEMBL364495)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475187
PNG
(CHEMBL191895)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Show InChI InChI=1S/C23H28N4O2/c1-17-5-7-19-21(25-17)3-2-4-23(19)29-14-13-26-9-11-27(12-10-26)16-18-6-8-22(28)20(24)15-18/h2-8,15,28H,9-14,16,24H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475188
PNG
(CHEMBL365810)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475180
PNG
(CHEMBL190190)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Show InChI InChI=1S/C25H28N4O/c1-19-8-9-22-23(27-19)6-3-7-24(22)30-17-16-28-12-14-29(15-13-28)18-21-5-2-4-20-10-11-26-25(20)21/h2-11,26H,12-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475189
PNG
(CHEMBL193268)
Show SMILES COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 7 receptor


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50475183
PNG
(CHEMBL191980)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Show InChI InChI=1S/C23H25Cl2N3O/c1-17-5-7-19-22(26-17)3-2-4-23(19)29-14-13-27-9-11-28(12-10-27)16-18-6-8-20(24)21(25)15-18/h2-8,15H,9-14,16H2,1H3
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475185
PNG
(CHEMBL192536)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C23H25FN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
PDB

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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
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