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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50034081   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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0.200n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50084855
PNG
(CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2
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0.330n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.390n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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0.540n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356611
PNG
(CHEMBL1910143)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2
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0.580n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.600n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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0.650n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356613
PNG
(CHEMBL1910145)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33FN4O2/c27-20-25-8-10-26(19-25,11-9-25)24(33)31(23-7-3-4-12-28-23)18-15-29-13-16-30(17-14-29)21-5-1-2-6-22(21)32/h1-7,12,32H,8-11,13-20H2
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0.740n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356612
PNG
(CHEMBL1910144)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c28-21-26-8-11-27(12-9-26,13-10-26)25(34)32(24-7-3-4-14-29-24)20-17-30-15-18-31(19-16-30)22-5-1-2-6-23(22)33/h1-7,14,33H,8-13,15-21H2
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0.75n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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0.860n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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0.900n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356610
PNG
(CHEMBL1910142)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C29H37FN4O2/c30-21-28-16-22-15-23(17-28)19-29(18-22,20-28)27(36)34(26-7-3-4-8-31-26)14-11-32-9-12-33(13-10-32)24-5-1-2-6-25(24)35/h1-8,22-23,35H,9-21H2
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1.10n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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1.10n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356609
PNG
(CHEMBL1910138)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C30H39FN4O2/c1-37-26-7-3-2-6-25(26)34-13-10-33(11-14-34)12-15-35(27-8-4-5-9-32-27)28(36)30-19-23-16-24(20-30)18-29(17-23,21-30)22-31/h2-9,23-24H,10-22H2,1H3
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1.82n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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5n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
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13.2n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A receptor


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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16n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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16n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D4 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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19n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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20n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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24n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT2B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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27n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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36n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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38n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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71n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D4 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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73n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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74n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1A receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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77n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT7 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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79n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT2B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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84n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D4 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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88n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT2B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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92n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from 5HT1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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92n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D4 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50356604
PNG
(CHEMBL1910141)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C27H35FN4O2/c1-34-23-7-3-2-6-22(23)31-17-14-30(15-18-31)16-19-32(24-8-4-5-13-29-24)25(33)27-11-9-26(20-27,21-28)10-12-27/h2-8,13H,9-12,14-21H2,1H3
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97n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT7 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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99n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT2B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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110n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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122n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from 5HT1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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132n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT7 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50035513
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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151n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A receptor


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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176n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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322n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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361n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from 5HT1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT7 receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from 5HT1D receptor expressed in HEK293 EBNA cells by radioligand binding assay


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50084855
PNG
(CHEMBL423361 | Cyclohexanecarboxylic acid {2-[4-(2...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C24H32N4O2/c29-22-11-5-4-10-21(22)27-17-14-26(15-18-27)16-19-28(23-12-6-7-13-25-23)24(30)20-8-2-1-3-9-20/h4-7,10-13,20,29H,1-3,8-9,14-19H2
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n/an/a 0.770n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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n/an/a 0.910n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356605
PNG
(CHEMBL1910139)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C28H31FN4O2/c1-35-18-7-3-2-6-17(18)32-13-10-31(11-14-32)12-15-33(19-8-4-5-9-30-19)26(34)28-23-20-24(28)22-25(28)21(23)27(20,22)16-29/h2-9,20-25H,10-16H2,1H3
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n/an/a 1.27n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356611
PNG
(CHEMBL1910143)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
Show InChI InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2
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n/an/a 1.35n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356606
PNG
(CHEMBL1910140)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C28H37FN4O2/c1-35-24-7-3-2-6-23(24)32-19-16-31(17-20-32)18-21-33(25-8-4-5-15-30-25)26(34)28-12-9-27(22-29,10-13-28)11-14-28/h2-8,15H,9-14,16-22H2,1H3
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n/an/a 1.53n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50356613
PNG
(CHEMBL1910145)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33FN4O2/c27-20-25-8-10-26(19-25,11-9-25)24(33)31(23-7-3-4-12-28-23)18-15-29-13-16-30(17-14-29)21-5-1-2-6-22(21)32/h1-7,12,32H,8-11,13-20H2
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n/an/a 1.74n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5728-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.023
BindingDB Entry DOI: 10.7270/Q2542P0K
More data for this
Ligand-Target Pair
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