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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50013004   
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 7


(Homo sapiens (Human))
BDBM50222900
PNG
(CHEMBL267062)
Show SMILES O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C25H29N3O/c29-25-21-8-2-1-6-19(21)7-5-13-28(25)17-16-27-14-11-20(12-15-27)23-18-26-24-10-4-3-9-22(23)24/h1-4,6,8-10,18,20,26H,5,7,11-17H2
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0.407n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222781
PNG
(CHEMBL9951)
Show SMILES Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H28FN3O/c26-21-7-8-24-20(18-21)9-15-29(24)22-10-13-27(14-11-22)16-17-28-12-3-5-19-4-1-2-6-23(19)25(28)30/h1-2,4,6-9,15,18,22H,3,5,10-14,16-17H2
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0.562n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222900
PNG
(CHEMBL267062)
Show SMILES O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C25H29N3O/c29-25-21-8-2-1-6-19(21)7-5-13-28(25)17-16-27-14-11-20(12-15-27)23-18-26-24-10-4-3-9-22(23)24/h1-4,6,8-10,18,20,26H,5,7,11-17H2
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1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222777
PNG
(CHEMBL9616)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H27FN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2
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1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222899
PNG
(CHEMBL9347)
Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H26FN5O/c24-18-7-8-22-21(16-18)25-26-29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222780
PNG
(CHEMBL275343)
Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H27ClN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222894
PNG
(CHEMBL9952)
Show SMILES O=C1N(CCN2CCC(CC2)n2ccc3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C25H29N3O/c29-25-23-9-3-1-6-20(23)8-5-14-27(25)19-18-26-15-12-22(13-16-26)28-17-11-21-7-2-4-10-24(21)28/h1-4,6-7,9-11,17,22H,5,8,12-16,18-19H2
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2.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222778
PNG
(CHEMBL275451)
Show SMILES Fc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2
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4.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222897
PNG
(CHEMBL9446)
Show SMILES Fc1ccc2N(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)C(=O)Cc2c1
Show InChI InChI=1S/C25H28FN3O2/c26-20-7-8-23-19(16-20)17-24(30)29(23)21-9-12-27(13-10-21)14-15-28-11-3-5-18-4-1-2-6-22(18)25(28)31/h1-2,4,6-8,16,21H,3,5,9-15,17H2
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6.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222781
PNG
(CHEMBL9951)
Show SMILES Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H28FN3O/c26-21-7-8-24-20(18-21)9-15-29(24)22-10-13-27(14-11-22)16-17-28-12-3-5-19-4-1-2-6-23(19)25(28)30/h1-2,4,6-9,15,18,22H,3,5,10-14,16-17H2
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6.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222782
PNG
(CHEMBL9770)
Show SMILES Cc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-19-8-10-21(11-9-19)28-22-12-15-25(16-13-22)17-18-26-14-4-6-20-5-2-3-7-23(20)24(26)27/h2-3,5,7-11,22H,4,6,12-18H2,1H3
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9.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222893
PNG
(CHEMBL9250)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C24H26FN3O3/c25-18-7-8-21-22(16-18)31-24(30)28(21)19-9-12-26(13-10-19)14-15-27-11-3-5-17-4-1-2-6-20(17)23(27)29/h1-2,4,6-8,16,19H,3,5,9-15H2
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9.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222784
PNG
(CHEMBL273872)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)25-24(28)30/h1-4,6,8-10,19H,5,7,11-17H2,(H,25,30)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222779
PNG
(CHEMBL269400)
Show SMILES Cc1ccccc1OC1CCN(CCC2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H31NO2/c1-19-7-2-5-12-24(19)28-22-14-17-26(18-15-22)16-13-21-10-6-9-20-8-3-4-11-23(20)25(21)27/h2-5,7-8,11-12,21-22H,6,9-10,13-18H2,1H3
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222890
PNG
(CHEMBL9840)
Show SMILES COc1ccccc1C1CCN(CC2CCc3ccccc3C(=O)C2)CC1
Show InChI InChI=1S/C24H29NO2/c1-27-24-9-5-4-8-22(24)20-12-14-25(15-13-20)17-18-10-11-19-6-2-3-7-21(19)23(26)16-18/h2-9,18,20H,10-17H2,1H3
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222889
PNG
(CHEMBL429202)
Show SMILES Clc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27ClN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222896
PNG
(CHEMBL275475)
Show SMILES O=C1N(CCN2CCC(CC2)n2nnc3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C23H27N5O/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)24-25-28/h1-4,6,8-10,19H,5,7,11-17H2
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14n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222777
PNG
(CHEMBL9616)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H27FN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222783
PNG
(CHEMBL9696)
Show SMILES O=C1CC(CN2CCC(CC2)Oc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C23H27NO2/c25-23-16-18(10-11-19-6-4-5-9-22(19)23)17-24-14-12-21(13-15-24)26-20-7-2-1-3-8-20/h1-9,18,21H,10-17H2
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19n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222894
PNG
(CHEMBL9952)
Show SMILES O=C1N(CCN2CCC(CC2)n2ccc3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C25H29N3O/c29-25-23-9-3-1-6-20(23)8-5-14-27(25)19-18-26-15-12-22(13-16-26)28-17-11-21-7-2-4-10-24(21)28/h1-4,6-7,9-11,17,22H,5,8,12-16,18-19H2
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19n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222895
PNG
(CHEMBL9564)
Show SMILES O=C1N(CCN2CCC(CC2)Oc2ccccc2)CCCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c26-23-22-11-5-4-7-19(22)8-6-14-25(23)18-17-24-15-12-21(13-16-24)27-20-9-2-1-3-10-20/h1-5,7,9-11,21H,6,8,12-18H2
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222898
PNG
(CHEMBL9615)
Show SMILES O=C1C(CCN2CCC(CC2)Oc2ccccc2)CCCc2ccccc12
Show InChI InChI=1S/C24H29NO2/c26-24-20(9-6-8-19-7-4-5-12-23(19)24)13-16-25-17-14-22(15-18-25)27-21-10-2-1-3-11-21/h1-5,7,10-12,20,22H,6,8-9,13-18H2
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222891
PNG
(CHEMBL273821)
Show SMILES O=C1N(CCN2CCC(CC2)n2c3ccccc3oc2=O)CCCc2ccccc12
Show InChI InChI=1S/C24H27N3O3/c28-23-20-8-2-1-6-18(20)7-5-13-26(23)17-16-25-14-11-19(12-15-25)27-21-9-3-4-10-22(21)30-24(27)29/h1-4,6,8-10,19H,5,7,11-17H2
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28n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222778
PNG
(CHEMBL275451)
Show SMILES Fc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50222892
PNG
(CHEMBL275258)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-18-20-7-2-4-10-23(20)28(24)21-11-14-26(15-12-21)16-17-27-13-5-8-19-6-1-3-9-22(19)25(27)30/h1-4,6-7,9-10,21H,5,8,11-18H2
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37n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222897
PNG
(CHEMBL9446)
Show SMILES Fc1ccc2N(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)C(=O)Cc2c1
Show InChI InChI=1S/C25H28FN3O2/c26-20-7-8-23-19(16-20)17-24(30)29(23)21-9-12-27(13-10-21)14-15-28-11-3-5-18-4-1-2-6-22(18)25(28)31/h1-2,4,6-8,16,21H,3,5,9-15,17H2
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43n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222899
PNG
(CHEMBL9347)
Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H26FN5O/c24-18-7-8-22-21(16-18)25-26-29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2
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49n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222782
PNG
(CHEMBL9770)
Show SMILES Cc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-19-8-10-21(11-9-19)28-22-12-15-25(16-13-22)17-18-26-14-4-6-20-5-2-3-7-23(20)24(26)27/h2-3,5,7-11,22H,4,6,12-18H2,1H3
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222889
PNG
(CHEMBL429202)
Show SMILES Clc1ccc(OC2CCN(CCN3CCCc4ccccc4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27ClN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2
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74n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222780
PNG
(CHEMBL275343)
Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H27ClN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2
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78n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222895
PNG
(CHEMBL9564)
Show SMILES O=C1N(CCN2CCC(CC2)Oc2ccccc2)CCCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c26-23-22-11-5-4-7-19(22)8-6-14-25(23)18-17-24-15-12-21(13-16-24)27-20-9-2-1-3-10-20/h1-5,7,9-11,21H,6,8,12-18H2
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155n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222893
PNG
(CHEMBL9250)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C24H26FN3O3/c25-18-7-8-21-22(16-18)31-24(30)28(21)19-9-12-26(13-10-19)14-15-27-11-3-5-17-4-1-2-6-20(17)23(27)29/h1-2,4,6-8,16,19H,3,5,9-15H2
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186n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222892
PNG
(CHEMBL275258)
Show SMILES O=C1Cc2ccccc2N1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-18-20-7-2-4-10-23(20)28(24)21-11-14-26(15-12-21)16-17-27-13-5-8-19-6-1-3-9-22(19)25(27)30/h1-4,6-7,9-10,21H,5,8,11-18H2
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224n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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234n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human dopamine D2 receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222896
PNG
(CHEMBL275475)
Show SMILES O=C1N(CCN2CCC(CC2)n2nnc3ccccc23)CCCc2ccccc12
Show InChI InChI=1S/C23H27N5O/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)24-25-28/h1-4,6,8-10,19H,5,7,11-17H2
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269n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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302n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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479n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222891
PNG
(CHEMBL273821)
Show SMILES O=C1N(CCN2CCC(CC2)n2c3ccccc3oc2=O)CCCc2ccccc12
Show InChI InChI=1S/C24H27N3O3/c28-23-20-8-2-1-6-18(20)7-5-13-26(23)17-16-25-14-11-19(12-15-25)27-21-9-3-4-10-22(21)30-24(27)29/h1-4,6,8-10,19H,5,7,11-17H2
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977n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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1.23E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human dopamine D4 receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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1.48E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-HT5A receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222784
PNG
(CHEMBL273872)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCN2CCCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)25-24(28)30/h1-4,6,8-10,19H,5,7,11-17H2,(H,25,30)
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<1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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1.70E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human dopamine D3 receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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2.40E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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3.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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<3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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<5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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<1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1F receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50125260
PNG
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)
Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
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<1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1E receptor was determined


Bioorg Med Chem Lett 13: 1055-8 (2003)


BindingDB Entry DOI: 10.7270/Q2X066D4
More data for this
Ligand-Target Pair
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