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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50038132   
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 5A


(RAT)
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(RAT)
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371980
PNG
(CHEMBL446459)
Show SMILES CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
Show InChI InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
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4.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371985
PNG
(CHEMBL404511)
Show SMILES CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)
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10.1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371983
PNG
(CHEMBL257744)
Show SMILES COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
Show InChI InChI=1S/C12H14ClF2N3O/c1-6-10-8(4-3-7(13)11(10)19-2)18-12(17-6)16-5-9(14)15/h3-4,6,9H,5H2,1-2H3,(H2,16,17,18)
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17.6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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18.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371983
PNG
(CHEMBL257744)
Show SMILES COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
Show InChI InChI=1S/C12H14ClF2N3O/c1-6-10-8(4-3-7(13)11(10)19-2)18-12(17-6)16-5-9(14)15/h3-4,6,9H,5H2,1-2H3,(H2,16,17,18)
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22.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371980
PNG
(CHEMBL446459)
Show SMILES CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
Show InChI InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
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22.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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23.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
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24.8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371984
PNG
(CHEMBL404248)
Show SMILES COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
Show InChI InChI=1S/C12H15F2N3O/c1-7-8-4-3-5-9(18-2)11(8)17-12(16-7)15-6-10(13)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16,17)
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28.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371985
PNG
(CHEMBL404511)
Show SMILES CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)
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33.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371982
PNG
(CHEMBL271253)
Show SMILES CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-6(12)2-3-7(13)10(9)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)
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33.4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371994
PNG
(CHEMBL256693)
Show SMILES CC1NC(NCC2COc3ccccc3O2)=Nc2ccccc12 |c:17|
Show InChI InChI=1S/C18H19N3O2/c1-12-14-6-2-3-7-15(14)21-18(20-12)19-10-13-11-22-16-8-4-5-9-17(16)23-13/h2-9,12-13H,10-11H2,1H3,(H2,19,20,21)
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37n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371447
PNG
(CHEMBL541396)
Show SMILES CC1NC(N)=Nc2ccccc12 |c:4|
Show InChI InChI=1S/C9H11N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-6H,1H3,(H3,10,11,12)
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38n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50371984
PNG
(CHEMBL404248)
Show SMILES COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
Show InChI InChI=1S/C12H15F2N3O/c1-7-8-4-3-5-9(18-2)11(8)17-12(16-7)15-6-10(13)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16,17)
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38.9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371984
PNG
(CHEMBL404248)
Show SMILES COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
Show InChI InChI=1S/C12H15F2N3O/c1-7-8-4-3-5-9(18-2)11(8)17-12(16-7)15-6-10(13)14/h3-5,7,10H,6H2,1-2H3,(H2,15,16,17)
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53n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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55n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
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56n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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75n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50371980
PNG
(CHEMBL446459)
Show SMILES CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
Show InChI InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
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82n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1D receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371985
PNG
(CHEMBL404511)
Show SMILES CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)
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85n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371986
PNG
(CHEMBL272355)
Show SMILES CC1NC(NCC(F)F)=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C11H13F2N3/c1-7-8-4-2-3-5-9(8)16-11(15-7)14-6-10(12)13/h2-5,7,10H,6H2,1H3,(H2,14,15,16)
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87n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371982
PNG
(CHEMBL271253)
Show SMILES CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-6(12)2-3-7(13)10(9)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)
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87n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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95.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371992
PNG
(CHEMBL404365)
Show SMILES CC1NC(NCC2COCCO2)=Nc2ccccc12 |c:12|
Show InChI InChI=1S/C14H19N3O2/c1-10-12-4-2-3-5-13(12)17-14(16-10)15-8-11-9-18-6-7-19-11/h2-5,10-11H,6-9H2,1H3,(H2,15,16,17)
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96n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371977
PNG
(CHEMBL272517)
Show SMILES CNC1=Nc2ccccc2C(C)N1 |t:2|
Show InChI InChI=1S/C10H13N3/c1-7-8-5-3-4-6-9(8)13-10(11-2)12-7/h3-7H,1-2H3,(H2,11,12,13)
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103n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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121n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371990
PNG
(CHEMBL402400)
Show SMILES CC1NC(NC2CCC2)=Nc2ccccc12 |c:9|
Show InChI InChI=1S/C13H17N3/c1-9-11-7-2-3-8-12(11)16-13(14-9)15-10-5-4-6-10/h2-3,7-10H,4-6H2,1H3,(H2,14,15,16)
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122n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371991
PNG
(CHEMBL257302)
Show SMILES CC1NC(NCCC2CCCCC2)=Nc2ccccc12 |c:13|
Show InChI InChI=1S/C17H25N3/c1-13-15-9-5-6-10-16(15)20-17(19-13)18-12-11-14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H2,18,19,20)
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124n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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124n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371988
PNG
(CHEMBL270658)
Show SMILES CCCNC1=Nc2ccccc2C(C)N1 |t:4|
Show InChI InChI=1S/C12H17N3/c1-3-8-13-12-14-9(2)10-6-4-5-7-11(10)15-12/h4-7,9H,3,8H2,1-2H3,(H2,13,14,15)
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153n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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162n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371993
PNG
(CHEMBL403102)
Show SMILES CC1NC(NC[C@H]2CCCO2)=Nc2ccccc12 |c:11|
Show InChI InChI=1S/C14H19N3O/c1-10-12-6-2-3-7-13(12)17-14(16-10)15-9-11-5-4-8-18-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,16,17)/t10?,11-/m1/s1
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163n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371979
PNG
(CHEMBL256049)
Show SMILES CCOCCCNC1=Nc2ccccc2C(C)N1 |t:7|
Show InChI InChI=1S/C14H21N3O/c1-3-18-10-6-9-15-14-16-11(2)12-7-4-5-8-13(12)17-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,15,16,17)
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176n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371976
PNG
(CHEMBL402874)
Show SMILES CCCCNC1=Nc2ccccc2C(C)N1 |t:5|
Show InChI InChI=1S/C13H19N3/c1-3-4-9-14-13-15-10(2)11-7-5-6-8-12(11)16-13/h5-8,10H,3-4,9H2,1-2H3,(H2,14,15,16)
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189n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371989
PNG
(CHEMBL537022)
Show SMILES CCNC1=Nc2ccccc2C(C)N1 |t:3|
Show InChI InChI=1S/C11H15N3/c1-3-12-11-13-8(2)9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H2,12,13,14)
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196n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
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233n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1D receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371983
PNG
(CHEMBL257744)
Show SMILES COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
Show InChI InChI=1S/C12H14ClF2N3O/c1-6-10-8(4-3-7(13)11(10)19-2)18-12(17-6)16-5-9(14)15/h3-4,6,9H,5H2,1-2H3,(H2,16,17,18)
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233n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
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238n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50371980
PNG
(CHEMBL446459)
Show SMILES CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
Show InChI InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
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240n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50371995
PNG
(CHEMBL256048)
Show SMILES CCCOCCNC1=Nc2ccccc2C(C)N1 |t:7|
Show InChI InChI=1S/C14H21N3O/c1-3-9-18-10-8-15-14-16-11(2)12-6-4-5-7-13(12)17-14/h4-7,11H,3,8-10H2,1-2H3,(H2,15,16,17)
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241n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
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257n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
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