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PubMed code 8230131

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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8.70n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034366
PNG
(CHEMBL28437 | Trifluoro-methanesulfonic acid 7-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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9.60n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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64n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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99n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042343
PNG
((5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by [3H]spiperone as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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340n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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360n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50042343
PNG
((5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OC
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-9-10-16-14(13-15)7-6-8-17(16)19-3/h6-8,15H,4-5,9-13H2,1-3H3
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440n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034366
PNG
(CHEMBL28437 | Trifluoro-methanesulfonic acid 7-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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670n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.04E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042340
PNG
(CHEMBL114433 | Trifluoro-methanesulfonic acid 7-di...)
Show SMILES CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-13-6-8-16(12-14(13)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.36E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in homogenated rat brain tissue, using by [3H]spiperone as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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1.36E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.57E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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3.26E+3n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50042339
PNG
(CHEMBL442203 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-9-21(10-4-2)15-7-5-14-12-16(8-6-13(14)11-15)24-25(22,23)17(18,19)20/h6,8,12,15H,3-5,7,9-11H2,1-2H3
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1.60E+4n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


Article DOI: 10.1021/jm00074a022
BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%