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Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50008860   
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 2A


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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0.0600n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403759
PNG
(CHEMBL428494)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
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2n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010047
PNG
(2-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccccc1N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-1-2-9-20(19)26-16-14-25(15-17-26)12-5-13-27-21-10-3-6-18-7-4-11-22(23(18)21)30(27,28)29/h1-4,6-11H,5,12-17H2
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3n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010061
PNG
(2-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-2...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H26FN3O2S/c25-20-9-11-21(12-10-20)27-17-15-26(16-18-27)13-1-2-14-28-22-7-3-5-19-6-4-8-23(24(19)22)31(28,29)30/h3-12H,1-2,13-18H2
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3.70n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010042
PNG
(2-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24ClN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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5n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403777
PNG
(CHEMBL12702)
Show SMILES COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)
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5n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010045
PNG
(2-{3-[4-(4-Bromo-phenyl)-piperazin-1-yl]-propyl}-2...)
Show SMILES Brc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24BrN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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7n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473641
PNG
(CHEMBL307101)
Show SMILES Clc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C25H30ClN3O/c26-20-9-1-2-11-22(20)29-17-15-28(16-18-29)14-4-3-12-25-13-6-8-19-7-5-10-21(23(19)25)27-24(25)30/h1-2,5,7,9-11H,3-4,6,8,12-18H2,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010039
PNG
(2-{3-[4-(3-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1cccc(c1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-7-3-8-20(17-19)26-15-13-25(14-16-26)11-4-12-27-21-9-1-5-18-6-2-10-22(23(18)21)30(27,28)29/h1-3,5-10,17H,4,11-16H2
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18n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473660
PNG
(CHEMBL71390)
Show SMILES COc1ccc(cc1)N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-22-11-9-21(10-12-22)29-18-16-28(17-19-29)15-3-2-13-26-14-5-7-20-6-4-8-23(24(20)26)27-25(26)30/h4,6,8-12H,2-3,5,7,13-19H2,1H3,(H,27,30)
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20n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522983
PNG
(CHEMBL4519312)
Show SMILES Cl.Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-10-7-11-23(20-22)30-18-16-29(17-19-30)14-3-1-2-4-15-31-25-13-6-9-21-8-5-12-24(26(21)25)27(31)32/h5-13,20H,1-4,14-19H2
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43n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522981
PNG
(CHEMBL4453687)
Show SMILES Cl.Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-10-7-11-23(20-22)29-18-16-28(17-19-29)14-3-1-2-4-15-30-24-12-5-8-21-9-6-13-25(26(21)24)33(30,31)32/h5-13,20H,1-4,14-19H2
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46n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522983
PNG
(CHEMBL4519312)
Show SMILES Cl.Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-10-7-11-23(20-22)30-18-16-29(17-19-30)14-3-1-2-4-15-31-25-13-6-9-21-8-5-12-24(26(21)25)27(31)32/h5-13,20H,1-4,14-19H2
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53n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522972
PNG
(CHEMBL4447594)
Show SMILES Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C28H30F3N3O/c29-28(30,31)22-10-7-11-23(20-22)33-18-16-32(17-19-33)14-3-1-2-4-15-34-25-13-6-9-21-8-5-12-24(26(21)25)27(34)35/h5-13,20H,1-4,14-19H2
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54n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522969
PNG
(CHEMBL4567345)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-23-12-3-4-13-24(23)30-19-17-29(18-20-30)15-5-1-2-6-16-31-25-14-8-10-21-9-7-11-22(26(21)25)27(31)32/h3-4,7-14H,1-2,5-6,15-20H2
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58n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522978
PNG
(CHEMBL4541606)
Show SMILES Cl.Fc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30FN3O/c28-23-12-3-4-13-24(23)30-19-17-29(18-20-30)15-5-1-2-6-16-31-25-14-8-10-21-9-7-11-22(26(21)25)27(31)32/h3-4,7-14H,1-2,5-6,15-20H2
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64n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522969
PNG
(CHEMBL4567345)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-23-12-3-4-13-24(23)30-19-17-29(18-20-30)15-5-1-2-6-16-31-25-14-8-10-21-9-7-11-22(26(21)25)27(31)32/h3-4,7-14H,1-2,5-6,15-20H2
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66n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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70n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes preincubated for 5 mins followed by addition of [3H]-8-OHDPAT and mea...


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473655
PNG
(CHEMBL69388)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C26H30F3N3O/c27-26(28,29)20-9-1-2-11-22(20)32-17-15-31(16-18-32)14-4-3-12-25-13-6-8-19-7-5-10-21(23(19)25)30-24(25)33/h1-2,5,7,9-11H,3-4,6,8,12-18H2,(H,30,33)
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74n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522983
PNG
(CHEMBL4519312)
Show SMILES Cl.Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-10-7-11-23(20-22)30-18-16-29(17-19-30)14-3-1-2-4-15-31-25-13-6-9-21-8-5-12-24(26(21)25)27(31)32/h5-13,20H,1-4,14-19H2
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75n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522976
PNG
(CHEMBL4528793)
Show SMILES Cl.Clc1ccc(cc1Cl)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-22-12-11-21(19-23(22)28)30-17-15-29(16-18-30)13-3-1-2-4-14-31-24-9-5-7-20-8-6-10-25(26(20)24)34(31,32)33/h5-12,19H,1-4,13-18H2
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79n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522968
PNG
(CHEMBL4530770)
Show SMILES Cl.Fc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30FN3O2S/c27-22-11-3-4-12-23(22)29-19-17-28(18-20-29)15-5-1-2-6-16-30-24-13-7-9-21-10-8-14-25(26(21)24)33(30,31)32/h3-4,7-14H,1-2,5-6,15-20H2
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81n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522968
PNG
(CHEMBL4530770)
Show SMILES Cl.Fc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30FN3O2S/c27-22-11-3-4-12-23(22)29-19-17-28(18-20-29)15-5-1-2-6-16-30-24-13-7-9-21-10-8-14-25(26(21)24)33(30,31)32/h3-4,7-14H,1-2,5-6,15-20H2
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90n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522984
PNG
(CHEMBL4546775)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-22-11-7-13-24(26(22)29)31-18-16-30(17-19-31)14-3-1-2-4-15-32-23-12-6-9-20-8-5-10-21(25(20)23)27(32)33/h5-13H,1-4,14-19H2
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94n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522985
PNG
(CHEMBL4455845)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-11-3-4-12-23(22)29-19-17-28(18-20-29)15-5-1-2-6-16-30-24-13-7-9-21-10-8-14-25(26(21)24)33(30,31)32/h3-4,7-14H,1-2,5-6,15-20H2
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106n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522981
PNG
(CHEMBL4453687)
Show SMILES Cl.Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-10-7-11-23(20-22)29-18-16-28(17-19-29)14-3-1-2-4-15-30-24-12-5-8-21-9-6-13-25(26(21)24)33(30,31)32/h5-13,20H,1-4,14-19H2
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121n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522984
PNG
(CHEMBL4546775)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)c1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-22-11-7-13-24(26(22)29)31-18-16-30(17-19-31)14-3-1-2-4-15-32-23-12-6-9-20-8-5-10-21(25(20)23)27(32)33/h5-13H,1-4,14-19H2
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122n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522979
PNG
(CHEMBL4548353)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-11-13-23(14-12-22)30-19-17-29(18-20-30)15-3-1-2-4-16-31-25-10-6-8-21-7-5-9-24(26(21)25)27(31)32/h5-14H,1-4,15-20H2
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124n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522973
PNG
(CHEMBL4447659)
Show SMILES Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C27H30F3N3O2S/c28-27(29,30)22-10-7-11-23(20-22)32-18-16-31(17-19-32)14-3-1-2-4-15-33-24-12-5-8-21-9-6-13-25(26(21)24)36(33,34)35/h5-13,20H,1-4,14-19H2
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132n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522977
PNG
(CHEMBL4449590)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-21-10-7-12-23(26(21)28)30-18-16-29(17-19-30)14-3-1-2-4-15-31-22-11-5-8-20-9-6-13-24(25(20)22)34(31,32)33/h5-13H,1-4,14-19H2
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140n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522985
PNG
(CHEMBL4455845)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-11-3-4-12-23(22)29-19-17-28(18-20-29)15-5-1-2-6-16-30-24-13-7-9-21-10-8-14-25(26(21)24)33(30,31)32/h3-4,7-14H,1-2,5-6,15-20H2
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142n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50522982
PNG
(CHEMBL4436319)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-11-13-23(14-12-22)29-19-17-28(18-20-29)15-3-1-2-4-16-30-24-9-5-7-21-8-6-10-25(26(21)24)33(30,31)32/h5-14H,1-4,15-20H2
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147n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHO-K1 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50473661
PNG
(CHEMBL302723)
Show SMILES Cc1cccc(C)c1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
Show InChI InChI=1S/C27H35N3O/c1-20-8-5-9-21(2)25(20)30-18-16-29(17-19-30)15-4-3-13-27-14-7-11-22-10-6-12-23(24(22)27)28-26(27)31/h5-6,8-10,12H,3-4,7,11,13-19H2,1-2H3,(H,28,31)
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147n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522977
PNG
(CHEMBL4449590)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-21-10-7-12-23(26(21)28)30-18-16-29(17-19-30)14-3-1-2-4-15-31-22-11-5-8-20-9-6-13-24(25(20)22)34(31,32)33/h5-13H,1-4,14-19H2
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149n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522980
PNG
(CHEMBL4592962)
Show SMILES Cl.Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H29Cl2N3O/c28-23-12-11-21(19-24(23)29)31-17-15-30(16-18-31)13-3-1-2-4-14-32-25-10-6-8-20-7-5-9-22(26(20)25)27(32)33/h5-12,19H,1-4,13-18H2
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161n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522975
PNG
(CHEMBL4585051)
Show SMILES Cl.FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C28H30F3N3O/c29-28(30,31)23-12-3-4-13-24(23)33-19-17-32(18-20-33)15-5-1-2-6-16-34-25-14-8-10-21-9-7-11-22(26(21)25)27(34)35/h3-4,7-14H,1-2,5-6,15-20H2
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161n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522980
PNG
(CHEMBL4592962)
Show SMILES Cl.Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H29Cl2N3O/c28-23-12-11-21(19-24(23)29)31-17-15-30(16-18-31)13-3-1-2-4-14-32-25-10-6-8-20-7-5-9-22(26(20)25)27(32)33/h5-12,19H,1-4,13-18H2
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166n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522973
PNG
(CHEMBL4447659)
Show SMILES Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C27H30F3N3O2S/c28-27(29,30)22-10-7-11-23(20-22)32-18-16-31(17-19-32)14-3-1-2-4-15-33-24-12-5-8-21-9-6-13-25(26(21)24)36(33,34)35/h5-13,20H,1-4,14-19H2
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167n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50522977
PNG
(CHEMBL4449590)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-21-10-7-12-23(26(21)28)30-18-16-29(17-19-30)14-3-1-2-4-15-31-22-11-5-8-20-9-6-13-24(25(20)22)34(31,32)33/h5-13H,1-4,14-19H2
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177n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHO-K1 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522979
PNG
(CHEMBL4548353)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-11-13-23(14-12-22)30-19-17-29(18-20-30)15-3-1-2-4-16-31-25-10-6-8-21-7-5-9-24(26(21)25)27(31)32/h5-14H,1-4,15-20H2
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181n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522979
PNG
(CHEMBL4548353)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30ClN3O/c28-22-11-13-23(14-12-22)30-19-17-29(18-20-30)15-3-1-2-4-16-31-25-10-6-8-21-7-5-9-24(26(21)25)27(31)32/h5-14H,1-4,15-20H2
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197n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50522982
PNG
(CHEMBL4436319)
Show SMILES Cl.Clc1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O2S/c27-22-11-13-23(14-12-22)29-19-17-28(18-20-29)15-3-1-2-4-16-30-24-9-5-7-21-8-6-10-25(26(21)24)33(30,31)32/h5-14H,1-4,15-20H2
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197n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403763
PNG
(CHEMBL12908)
Show SMILES COc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C27H33N3O3S/c1-33-25-14-5-4-12-23(25)29-20-18-28(19-21-29)16-6-2-3-7-17-30-24-13-8-10-22-11-9-15-26(27(22)24)34(30,31)32/h4-5,8-15H,2-3,6-7,16-21H2,1H3
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200n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 (unknown origin)


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403778
PNG
(CHEMBL12933)
Show SMILES O=S1(=O)N(CCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C25H29N3O2S/c29-31(30)24-14-8-10-21-9-7-13-23(25(21)24)28(31)16-6-2-5-15-26-17-19-27(20-18-26)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2
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200n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 (unknown origin)


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50403779
PNG
(CHEMBL13032)
Show SMILES COc1ccccc1N1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C25H29N3O3S/c1-31-23-12-3-2-10-21(23)27-18-16-26(17-19-27)14-4-5-15-28-22-11-6-8-20-9-7-13-24(25(20)22)32(28,29)30/h2-3,6-13H,4-5,14-19H2,1H3
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200n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 (unknown origin)


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50522968
PNG
(CHEMBL4530770)
Show SMILES Cl.Fc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H30FN3O2S/c27-22-11-3-4-12-23(22)29-19-17-28(18-20-29)15-5-1-2-6-16-30-24-13-7-9-21-10-8-14-25(26(21)24)33(30,31)32/h3-4,7-14H,1-2,5-6,15-20H2
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203n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522974
PNG
(CHEMBL4442062)
Show SMILES Cl.Brc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Show InChI InChI=1S/C27H30BrN3O/c28-22-11-13-23(14-12-22)30-19-17-29(18-20-30)15-3-1-2-4-16-31-25-10-6-8-21-7-5-9-24(26(21)25)27(31)32/h5-14H,1-4,15-20H2
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204n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50522977
PNG
(CHEMBL4449590)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-21-10-7-12-23(26(21)28)30-18-16-29(17-19-30)14-3-1-2-4-15-31-22-11-5-8-20-9-6-13-24(25(20)22)34(31,32)33/h5-13H,1-4,14-19H2
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220n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50522976
PNG
(CHEMBL4528793)
Show SMILES Cl.Clc1ccc(cc1Cl)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-22-12-11-21(19-23(22)28)30-17-15-29(16-18-30)13-3-1-2-4-14-31-24-9-5-7-20-8-6-10-25(26(20)24)34(31,32)33/h5-12,19H,1-4,13-18H2
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225n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50522977
PNG
(CHEMBL4449590)
Show SMILES Cl.Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2S/c27-21-10-7-12-23(26(21)28)30-18-16-29(17-19-30)14-3-1-2-4-15-31-22-11-5-8-20-9-6-13-24(25(20)22)34(31,32)33/h5-13H,1-4,14-19H2
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237n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
BindingDB Entry DOI: 10.7270/Q20K2D06
More data for this
Ligand-Target Pair
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