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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50013326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.350n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564775
PNG
(CHEMBL4795056)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc3OC(C)C(=O)Nc3c2)CC1 |r|
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8.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564776
PNG
(CHEMBL4781863)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2cnccn2)CC1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564783
PNG
(CHEMBL4789865)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564782
PNG
(CHEMBL4799274)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564769
PNG
(CHEMBL4780452)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564772
PNG
(CHEMBL4794688)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564779
PNG
(CHEMBL4783043)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccccc2C#N)CC1
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564775
PNG
(CHEMBL4795056)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc3OC(C)C(=O)Nc3c2)CC1 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564780
PNG
(CHEMBL4785158)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564787
PNG
(CHEMBL4791805)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCC(C)(C)CCOc2cnccn2)CC1
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564773
PNG
(CHEMBL4797980)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564774
PNG
(CHEMBL4792307)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cc(Cl)c3oc(=O)cc(C)c3c2)CC1 |r|
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564770
PNG
(CHEMBL4778946)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1 |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564784
PNG
(CHEMBL4782879)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564781
PNG
(CHEMBL4784089)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564771
PNG
(CHEMBL4788259)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2F)CC1 |r|
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564785
PNG
(CHEMBL4793310)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2cnccn2)CC1
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564778
PNG
(CHEMBL4779459)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)cc2F)CC1
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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564777
PNG
(CHEMBL4777209)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)c(F)c2)CC1
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61n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564788
PNG
(CHEMBL4784167)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CC(C)(C)CCCOc2cnccn2)CC1
PDB

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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564786
PNG
(CHEMBL4781056)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
PDB

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75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564769
PNG
(CHEMBL4780452)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
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83n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564788
PNG
(CHEMBL4784167)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CC(C)(C)CCCOc2cnccn2)CC1
PDB

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105n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564782
PNG
(CHEMBL4799274)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
PDB

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127n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564781
PNG
(CHEMBL4784089)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1
PDB

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135n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564776
PNG
(CHEMBL4781863)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2cnccn2)CC1
PDB

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197n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564771
PNG
(CHEMBL4788259)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2F)CC1 |r|
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264n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564787
PNG
(CHEMBL4791805)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCC(C)(C)CCOc2cnccn2)CC1
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264n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564783
PNG
(CHEMBL4789865)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
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287n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564772
PNG
(CHEMBL4794688)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 |r|
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403n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50564789
PNG
(CHEMBL4798874)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CC#CCOc2ccc(Cl)c(F)c2)CC1
PDB

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410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand bind...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564770
PNG
(CHEMBL4778946)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1 |r|
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449n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564774
PNG
(CHEMBL4792307)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cc(Cl)c3oc(=O)cc(C)c3c2)CC1 |r|
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475n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564779
PNG
(CHEMBL4783043)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccccc2C#N)CC1
PDB

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477n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564780
PNG
(CHEMBL4785158)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
PDB

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521n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564785
PNG
(CHEMBL4793310)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2cnccn2)CC1
PDB

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811n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564778
PNG
(CHEMBL4779459)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)cc2F)CC1
PDB

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967n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564773
PNG
(CHEMBL4797980)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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1.27E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564786
PNG
(CHEMBL4781056)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
PDB

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1.37E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564777
PNG
(CHEMBL4777209)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)c(F)c2)CC1
PDB

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2.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564784
PNG
(CHEMBL4782879)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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2.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50564789
PNG
(CHEMBL4798874)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CC#CCOc2ccc(Cl)c(F)c2)CC1
PDB

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>8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50564782
PNG
(CHEMBL4799274)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
PDB
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n/an/a 448n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031720
PNG
((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...)
Show SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
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n/an/a 1.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50564784
PNG
(CHEMBL4782879)
Show SMILES COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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n/an/a 1.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50564773
PNG
(CHEMBL4797980)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
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n/an/a 1.91E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112395
BindingDB Entry DOI: 10.7270/Q2MW2MW1
More data for this
Ligand-Target Pair