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Compile Data Set for Download or QSAR

Found 232 hits Enz. Inhib. hit(s) with all data for entry = 50036265   
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


(Rattus norvegicus (rat))
BDBM50034364
PNG
((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...)
Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039763
PNG
(3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...)
Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034341
PNG
((3aR,9bS)-3-allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...)
Show SMILES COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039750
PNG
(CHEMBL93534 | Trifluoro-methanesulfonic acid 3-all...)
Show SMILES FC(F)(F)S(=O)(=O)Oc1cccc2C3CCN(CC=C)C3CCc12
Show InChI InChI=1S/C16H18F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h2-5,12,14H,1,6-10H2
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18n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039736
PNG
(CHEMBL328119 | Trifluoro-methanesulfonic acid 3-((...)
Show SMILES FC(F)(F)S(=O)(=O)Oc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039751
PNG
(3-((S)-1-Phenethyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
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22n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039735
PNG
(3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039735
PNG
(3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
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36n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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39n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039736
PNG
(CHEMBL328119 | Trifluoro-methanesulfonic acid 3-((...)
Show SMILES FC(F)(F)S(=O)(=O)Oc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
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40n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as raidoligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039760
PNG
((-)-Trifluoro-methanesulfonic acid 3-(1-propyl-pip...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H20F3NO3S/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)22-23(20,21)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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48n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034364
PNG
((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...)
Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15-/m1/s1
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50n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039763
PNG
(3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...)
Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1
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56n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039751
PNG
(3-((S)-1-Phenethyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
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59n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039735
PNG
(3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
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60n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039757
PNG
(CHEMBL92682 | Trifluoro-methanesulfonic acid 3-pro...)
Show SMILES CCCN1CCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show InChI InChI=1S/C16H20F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h3-5,12,14H,2,6-10H2,1H3
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61n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039746
PNG
(CHEMBL327263 | Trifluoro-methanesulfonic acid 4-pr...)
Show SMILES CCCN1CCCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show InChI InChI=1S/C17H22F3NO3S/c1-2-10-21-11-4-6-13-12-5-3-7-16(14(12)8-9-15(13)21)24-25(22,23)17(18,19)20/h3,5,7,13,15H,2,4,6,8-11H2,1H3
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64n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as raidoligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039746
PNG
(CHEMBL327263 | Trifluoro-methanesulfonic acid 4-pr...)
Show SMILES CCCN1CCCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show InChI InChI=1S/C17H22F3NO3S/c1-2-10-21-11-4-6-13-12-5-3-7-16(14(12)8-9-15(13)21)24-25(22,23)17(18,19)20/h3,5,7,13,15H,2,4,6,8-11H2,1H3
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64n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as raidoligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039750
PNG
(CHEMBL93534 | Trifluoro-methanesulfonic acid 3-all...)
Show SMILES FC(F)(F)S(=O)(=O)Oc1cccc2C3CCN(CC=C)C3CCc12
Show InChI InChI=1S/C16H18F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h2-5,12,14H,1,6-10H2
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67n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039760
PNG
((-)-Trifluoro-methanesulfonic acid 3-(1-propyl-pip...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H20F3NO3S/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)22-23(20,21)15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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68n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039741
PNG
(CHEMBL93917 | [3-((S)-1-Propyl-piperidin-3-yl)-phe...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(CC#N)c1
Show InChI InChI=1S/C16H22N2/c1-2-10-18-11-4-7-16(13-18)15-6-3-5-14(12-15)8-9-17/h3,5-6,12,16H,2,4,7-8,10-11,13H2,1H3/t16-/m1/s1
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69n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039757
PNG
(CHEMBL92682 | Trifluoro-methanesulfonic acid 3-pro...)
Show SMILES CCCN1CCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show InChI InChI=1S/C16H20F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h3-5,12,14H,2,6-10H2,1H3
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72n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039736
PNG
(CHEMBL328119 | Trifluoro-methanesulfonic acid 3-((...)
Show SMILES FC(F)(F)S(=O)(=O)Oc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22F3NO3S/c21-20(22,23)28(25,26)27-19-10-4-8-17(14-19)18-9-5-12-24(15-18)13-11-16-6-2-1-3-7-16/h1-4,6-8,10,14,18H,5,9,11-13,15H2/t18-/m1/s1
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73n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039765
PNG
((S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
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78n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039735
PNG
(3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
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80n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039757
PNG
(CHEMBL92682 | Trifluoro-methanesulfonic acid 3-pro...)
Show SMILES CCCN1CCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show InChI InChI=1S/C16H20F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h3-5,12,14H,2,6-10H2,1H3
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82n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as raidoligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039781
PNG
(3-((S)-1-Propyl-piperidin-3-yl)-benzaldehyde | CHE...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(C=O)c1
Show InChI InChI=1S/C15H21NO/c1-2-8-16-9-4-7-15(11-16)14-6-3-5-13(10-14)12-17/h3,5-6,10,12,15H,2,4,7-9,11H2,1H3/t15-/m1/s1
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83n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039775
PNG
((S)-1-Propyl-3-(3-propyl-phenyl)-piperidine | CHEM...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(CCC)c1
Show InChI InChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1
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86n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039738
PNG
(CHEMBL329443 | N,N-Dimethyl-3-((S)-1-propyl-piperi...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C16H26N2O2S/c1-4-10-18-11-6-8-15(13-18)14-7-5-9-16(12-14)21(19,20)17(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3/t15-/m1/s1
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91n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039767
PNG
(CHEMBL92630 | Toluene-4-sulfonic acid 3-((S)-1-pro...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C21H27NO3S/c1-3-13-22-14-5-7-19(16-22)18-6-4-8-20(15-18)25-26(23,24)21-11-9-17(2)10-12-21/h4,6,8-12,15,19H,3,5,7,13-14,16H2,1-2H3/t19-/m1/s1
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92n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039776
PNG
(CHEMBL93701 | Trifluoro-methanesulfonic acid 2-((S...)
Show SMILES CCCN1CCC[C@H](C1)c1ccccc1OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C15H20F3NO3S/c1-2-9-19-10-5-6-12(11-19)13-7-3-4-8-14(13)22-23(20,21)15(16,17)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3/t12-/m1/s1
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92n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as raidoligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039778
PNG
(3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1
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98n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039763
PNG
(3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...)
Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1
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102n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039778
PNG
(3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50039751
PNG
(3-((S)-1-Phenethyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039759
PNG
(3-((S)-1-Isopropyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES CC(C)N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C15H20N2/c1-12(2)17-8-4-7-15(11-17)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,15H,4,7-8,11H2,1-2H3/t15-/m1/s1
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106n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039769
PNG
(3-((S)-1-Propyl-piperidin-3-yl)-benzonitrile | CHE...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C15H20N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h3,5-6,10,15H,2,4,7-9,12H2,1H3/t15-/m1/s1
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119n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039751
PNG
(3-((S)-1-Phenethyl-piperidin-3-yl)-benzonitrile | ...)
Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
Show InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
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120n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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132n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039763
PNG
(3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...)
Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1
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134n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039765
PNG
((S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
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134n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039775
PNG
((S)-1-Propyl-3-(3-propyl-phenyl)-piperidine | CHEM...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(CCC)c1
Show InChI InChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1
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135n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039737
PNG
((S)-3-(3-Methylsulfanyl-phenyl)-1-propyl-piperidin...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(SC)c1
Show InChI InChI=1S/C15H23NS/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)17-2/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1
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139n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039781
PNG
(3-((S)-1-Propyl-piperidin-3-yl)-benzaldehyde | CHE...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(C=O)c1
Show InChI InChI=1S/C15H21NO/c1-2-8-16-9-4-7-15(11-16)14-6-3-5-13(10-14)12-17/h3,5-6,10,12,15H,2,4,7-9,11H2,1H3/t15-/m1/s1
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145n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039765
PNG
((S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
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160n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039738
PNG
(CHEMBL329443 | N,N-Dimethyl-3-((S)-1-propyl-piperi...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C16H26N2O2S/c1-4-10-18-11-6-8-15(13-18)14-7-5-9-16(12-14)21(19,20)17(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3/t15-/m1/s1
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170n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039768
PNG
((S)-3-(3-Bromo-phenyl)-1-propyl-piperidine | CHEMB...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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170n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50039768
PNG
((S)-3-(3-Bromo-phenyl)-1-propyl-piperidine | CHEMB...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(Br)c1
Show InChI InChI=1S/C14H20BrN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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171n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radiol...


J Med Chem 37: 2735-53 (1994)


BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
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