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PubMed code 19427222

Compile data set for download or QSAR
Found 44 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
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.550n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 0.570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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 0.825n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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 0.920n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine 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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 1.36n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294841
PNG
((4-{2-[(7-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(25-6-3-21-4-7-26(33)20-24(21)19-25)15-12-30-13-16-32(17-14-30)28(34)23-5-8-27-22(18-23)9-10-29-27/h4-5,7-10,18,20,25,29,33H,2-3,6,11-17,19H2,1H3
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 1.67n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294848
PNG
(Benzo[b]thiophen-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-te...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2s1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O2S/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 1.69n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50273937
PNG
((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1
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 1.77n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294842
PNG
(7-((2-(4-(1H-indol-5-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C27H36N4O/c1-2-11-30(24-5-3-21-4-7-26(32)20-23(21)19-24)15-12-29-13-16-31(17-14-29)25-6-8-27-22(18-25)9-10-28-27/h4,6-10,18,20,24,28,32H,2-3,5,11-17,19H2,1H3
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 2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294843
PNG
((S)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(24-7-8-25-21(20-24)4-3-5-27(25)33)16-13-30-14-17-32(18-15-30)28(34)23-6-9-26-22(19-23)10-11-29-26/h3-6,9-11,19,24,29,33H,2,7-8,12-18,20H2,1H3/t24-/m0/s1
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 2.27n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294846
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1n[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H35N5O2/c1-2-12-31(21-10-11-22-20(19-21)6-5-9-25(22)33)16-13-30-14-17-32(18-15-30)27(34)26-23-7-3-4-8-24(23)28-29-26/h3-9,21,33H,2,10-19H2,1H3,(H,28,29)
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 2.83n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294845
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(22-10-11-23-21(19-22)6-5-9-27(23)33)16-13-30-14-17-32(18-15-30)28(34)25-20-29-26-8-4-3-7-24(25)26/h3-9,20,22,29,33H,2,10-19H2,1H3
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 3.62n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294838
PNG
((4-{2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(24-9-7-21-8-10-25(33)19-23(21)18-24)15-12-30-13-16-32(17-14-30)28(34)27-20-22-5-3-4-6-26(22)29-27/h3-6,8,10,19-20,24,29,33H,2,7,9,11-18H2,1H3
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 3.72n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294840
PNG
(7-({2-[4-(1H-Indol-5-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3
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 3.87n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294839
PNG
(7-({2-[4-(1H-Indol-2-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-9-7-22-8-10-27(33)20-24(22)19-26)17-16-30-12-14-31(15-13-30)21-25-18-23-5-3-4-6-28(23)29-25/h3-6,8,10,18,20,26,29,33H,2,7,9,11-17,19,21H2,1H3
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 4.82n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294849
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cnc2ccccc2c1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)34)16-13-31-14-17-33(18-15-31)29(35)24-19-23-6-3-4-8-27(23)30-21-24/h3-9,19,21,25,34H,2,10-18,20H2,1H3
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 5.18n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50294847
PNG
(Benzofuran-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-tetrahyd...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2o1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 5.23n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine 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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 6.19n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50273938
PNG
((-)-(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m0/s1
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 26n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294846
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1n[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H35N5O2/c1-2-12-31(21-10-11-22-20(19-21)6-5-9-25(22)33)16-13-30-14-17-32(18-15-30)27(34)26-23-7-3-4-8-24(23)28-29-26/h3-9,21,33H,2,10-19H2,1H3,(H,28,29)
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 28n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294842
PNG
(7-((2-(4-(1H-indol-5-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C27H36N4O/c1-2-11-30(24-5-3-21-4-7-26(32)20-23(21)19-24)15-12-29-13-16-31(17-14-29)25-6-8-27-22(18-25)9-10-28-27/h4,6-10,18,20,24,28,32H,2-3,5,11-17,19H2,1H3
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 30n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50273937
PNG
((+)-(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3/t24-/m1/s1
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 40.6n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 47.5n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 47.5n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294844
PNG
((+)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-10-11-24-21(19-23)7-5-9-27(24)33)16-13-30-14-17-32(18-15-30)28(34)26-20-22-6-3-4-8-25(22)29-26/h3-9,20,23,29,33H,2,10-19H2,1H3
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 51.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine 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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 58.8n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294845
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(22-10-11-23-21(19-22)6-5-9-27(23)33)16-13-30-14-17-32(18-15-30)28(34)25-20-29-26-8-4-3-7-24(25)26/h3-9,20,22,29,33H,2,10-19H2,1H3
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 58.9n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294841
PNG
((4-{2-[(7-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(25-6-3-21-4-7-26(33)20-24(21)19-25)15-12-30-13-16-32(17-14-30)28(34)23-5-8-27-22(18-23)9-10-29-27/h4-5,7-10,18,20,25,29,33H,2-3,6,11-17,19H2,1H3
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 65.9n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294848
PNG
(Benzo[b]thiophen-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-te...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2s1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O2S/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 76.9n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294839
PNG
(7-({2-[4-(1H-Indol-2-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-9-7-22-8-10-27(33)20-24(22)19-26)17-16-30-12-14-31(15-13-30)21-25-18-23-5-3-4-6-28(23)29-25/h3-6,8,10,18,20,26,29,33H,2,7,9,11-17,19,21H2,1H3
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 100n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294838
PNG
((4-{2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-11-31(24-9-7-21-8-10-25(33)19-23(21)18-24)15-12-30-13-16-32(17-14-30)28(34)27-20-22-5-3-4-6-26(22)29-27/h3-6,8,10,19-20,24,29,33H,2,7,9,11-18H2,1H3
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 116n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294847
PNG
(Benzofuran-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-tetrahyd...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2o1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-2-12-30(23-10-11-24-21(19-23)7-5-8-25(24)32)16-13-29-14-17-31(18-15-29)28(33)27-20-22-6-3-4-9-26(22)34-27/h3-9,20,23,32H,2,10-19H2,1H3
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 132n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294840
PNG
(7-({2-[4-(1H-Indol-5-ylmethyl)-piperazin-1-yl]-eth...)
Show SMILES CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3
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 144n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294843
PNG
((S)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(24-7-8-25-21(20-24)4-3-5-27(25)33)16-13-30-14-17-32(18-15-30)28(34)23-6-9-26-22(19-23)10-11-29-26/h3-6,9-11,19,24,29,33H,2,7-8,12-18,20H2,1H3/t24-/m0/s1
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 157n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50294849
PNG
((4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cnc2ccccc2c1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)34)16-13-31-14-17-33(18-15-31)29(35)24-19-23-6-3-4-8-27(23)30-21-24/h3-9,19,21,25,34H,2,10-18,20H2,1H3
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 158n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50273996
PNG
((S)-N*6*-[2-(4-Biphenyl-4-yl-piperazin-1-yl)-ethyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
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 264n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine 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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 311n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 209n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 8.53n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D3 receptor expressed in AtT cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50294843
PNG
((S)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(24-7-8-25-21(20-24)4-3-5-27(25)33)16-13-30-14-17-32(18-15-30)28(34)23-6-9-26-22(19-23)10-11-29-26/h3-6,9-11,19,24,29,33H,2,7-8,12-18,20H2,1H3/t24-/m0/s1
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n/an/an/an/a 1.23n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D3 receptor expressed in AtT cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		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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n/an/an/an/a 10.4n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50294843
PNG
((S)-(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(24-7-8-25-21(20-24)4-3-5-27(25)33)16-13-30-14-17-32(18-15-30)28(34)23-6-9-26-22(19-23)10-11-29-26/h3-6,9-11,19,24,29,33H,2,7-8,12-18,20H2,1H3/t24-/m0/s1
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n/an/an/an/a 41.2n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		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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n/an/an/an/a 0.140n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Activity at human dopamine D3 receptor expressed in AtT cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 17: 3923-33 (2009)


Article DOI: 10.1016/j.bmc.2009.04.031
BindingDB Entry DOI: 10.7270/Q25H7G8C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%