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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50007609   
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 1A


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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0.200n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510892
PNG
(CHEMBL4575904)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C30H38N4O5/c1-37-26-11-6-5-10-25(26)33-18-16-32(17-19-33)14-7-15-34-29(35)24(31-30(34)36)20-22-12-13-27(38-2)28(21-22)39-23-8-3-4-9-23/h5-6,10-13,20-21,23H,3-4,7-9,14-19H2,1-2H3,(H,31,36)/b24-20-
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6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510898
PNG
(CHEMBL4558286)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
Show InChI InChI=1S/C27H34N4O5/c1-34-23-9-5-4-8-22(23)30-16-14-29(15-17-30)12-6-7-13-31-26(32)21(28-27(31)33)18-20-10-11-24(35-2)25(19-20)36-3/h4-5,8-11,18-19H,6-7,12-17H2,1-3H3,(H,28,33)/b21-18-
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7n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510893
PNG
(CHEMBL4456962)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
Show InChI InChI=1S/C23H28N6O4/c1-32-19-6-5-17(16-20(19)33-2)15-18-21(30)29(23(31)26-18)10-4-9-27-11-13-28(14-12-27)22-24-7-3-8-25-22/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,26,31)/b18-15-
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510901
PNG
(CHEMBL4444280)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
Show InChI InChI=1S/C26H32N4O5/c1-33-22-8-5-4-7-21(22)29-15-13-28(14-16-29)11-6-12-30-25(31)20(27-26(30)32)17-19-9-10-23(34-2)24(18-19)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)/b20-17-
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13n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510898
PNG
(CHEMBL4558286)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
Show InChI InChI=1S/C27H34N4O5/c1-34-23-9-5-4-8-22(23)30-16-14-29(15-17-30)12-6-7-13-31-26(32)21(28-27(31)33)18-20-10-11-24(35-2)25(19-20)36-3/h4-5,8-11,18-19H,6-7,12-17H2,1-3H3,(H,28,33)/b21-18-
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510897
PNG
(CHEMBL4584900)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C25H28Cl2N4O4/c1-34-21-8-7-17(16-22(21)35-2)15-19-24(32)31(25(33)28-19)10-4-9-29-11-13-30(14-12-29)20-6-3-5-18(26)23(20)27/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,28,33)/b19-15-
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22n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510892
PNG
(CHEMBL4575904)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C30H38N4O5/c1-37-26-11-6-5-10-25(26)33-18-16-32(17-19-33)14-7-15-34-29(35)24(31-30(34)36)20-22-12-13-27(38-2)28(21-22)39-23-8-3-4-9-23/h5-6,10-13,20-21,23H,3-4,7-9,14-19H2,1-2H3,(H,31,36)/b24-20-
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510901
PNG
(CHEMBL4444280)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
Show InChI InChI=1S/C26H32N4O5/c1-33-22-8-5-4-7-21(22)29-15-13-28(14-16-29)11-6-12-30-25(31)20(27-26(30)32)17-19-9-10-23(34-2)24(18-19)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)/b20-17-
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42n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510899
PNG
(CHEMBL4476370)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
Show InChI InChI=1S/C24H30N6O4/c1-33-20-7-6-18(17-21(20)34-2)16-19-22(31)30(24(32)27-19)11-4-3-10-28-12-14-29(15-13-28)23-25-8-5-9-26-23/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,27,32)/b19-16-
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45n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510897
PNG
(CHEMBL4584900)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C25H28Cl2N4O4/c1-34-21-8-7-17(16-22(21)35-2)15-19-24(32)31(25(33)28-19)10-4-9-29-11-13-30(14-12-29)20-6-3-5-18(26)23(20)27/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,28,33)/b19-15-
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510894
PNG
(CHEMBL4440973)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C28H36N6O4/c1-37-24-10-9-21(20-25(24)38-22-7-2-3-8-22)19-23-26(35)34(28(36)31-23)14-5-4-13-32-15-17-33(18-16-32)27-29-11-6-12-30-27/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,31,36)/b23-19-
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64n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510893
PNG
(CHEMBL4456962)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
Show InChI InChI=1S/C23H28N6O4/c1-32-19-6-5-17(16-20(19)33-2)15-18-21(30)29(23(31)26-18)10-4-9-27-11-13-28(14-12-27)22-24-7-3-8-25-22/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,26,31)/b18-15-
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74n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510900
PNG
(CHEMBL4569899)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C27H34N6O4/c1-36-23-9-8-20(19-24(23)37-21-6-2-3-7-21)18-22-25(34)33(27(35)30-22)13-5-12-31-14-16-32(17-15-31)26-28-10-4-11-29-26/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,30,35)/b22-18-
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85n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510902
PNG
(CHEMBL4531761)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C30H36Cl2N4O4/c1-39-26-12-11-21(20-27(26)40-22-7-2-3-8-22)19-24-29(37)36(30(38)33-24)14-5-4-13-34-15-17-35(18-16-34)25-10-6-9-23(31)28(25)32/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,33,38)/b24-19-
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125n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510902
PNG
(CHEMBL4531761)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C30H36Cl2N4O4/c1-39-26-12-11-21(20-27(26)40-22-7-2-3-8-22)19-24-29(37)36(30(38)33-24)14-5-4-13-34-15-17-35(18-16-34)25-10-6-9-23(31)28(25)32/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,33,38)/b24-19-
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132n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510894
PNG
(CHEMBL4440973)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C28H36N6O4/c1-37-24-10-9-21(20-25(24)38-22-7-2-3-8-22)19-23-26(35)34(28(36)31-23)14-5-4-13-32-15-17-33(18-16-32)27-29-11-6-12-30-27/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,31,36)/b23-19-
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298n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510903
PNG
(CHEMBL4450652)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C29H34Cl2N4O4/c1-38-25-11-10-20(19-26(25)39-21-6-2-3-7-21)18-23-28(36)35(29(37)32-23)13-5-12-33-14-16-34(17-15-33)24-9-4-8-22(30)27(24)31/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,32,37)/b23-18-
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380n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510899
PNG
(CHEMBL4476370)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
Show InChI InChI=1S/C24H30N6O4/c1-33-20-7-6-18(17-21(20)34-2)16-19-22(31)30(24(32)27-19)11-4-3-10-28-12-14-29(15-13-28)23-25-8-5-9-26-23/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,27,32)/b19-16-
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933n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510900
PNG
(CHEMBL4569899)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C27H34N6O4/c1-36-23-9-8-20(19-24(23)37-21-6-2-3-7-21)18-22-25(34)33(27(35)30-22)13-5-12-31-14-16-32(17-15-31)26-28-10-4-11-29-26/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,30,35)/b22-18-
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510903
PNG
(CHEMBL4450652)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C29H34Cl2N4O4/c1-38-25-11-10-20(19-26(25)39-21-6-2-3-7-21)18-23-28(36)35(29(37)32-23)13-5-12-33-14-16-34(17-15-33)24-9-4-8-22(30)27(24)31/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,32,37)/b23-18-
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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n/an/a 39n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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n/an/a 39n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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n/an/a 54n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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n/an/a 54n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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n/an/a 162n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510895
PNG
(CHEMBL4591601)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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n/an/a 163n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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n/an/a 219n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50510896
PNG
(CHEMBL4465959)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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n/an/a 219n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 5.40n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells by LANCE TR-FRET assay


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 5.60n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells measured after 1 hr by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 5.70n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells by LANCE TR-FRET assay


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 5.61n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells measured after 1 hr by microbeta2 scintillation counter


Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)