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PubMed code 20605099

Compile data set for download or QSAR
Found 42 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))		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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PubMed
 1.36n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326732
PNG
((-)-6-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3
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 1.53n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 D3 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326725
PNG
(7-(propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccn1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-11-27(22-8-6-20-7-9-23(29)19-21(20)18-22)15-12-26-13-16-28(17-14-26)24-5-3-4-10-25-24/h3-5,7,9-10,19,22,29H,2,6,8,11-18H2,1H3
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 1.96n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50303791
PNG
((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1
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 2.23n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326731
PNG
((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
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 2.36n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326727
PNG
(7-(propyl(2-(4-(pyridin-3-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccnc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3
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 2.89n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326729
PNG
(CHEMBL1254862 | rac-7-(propyl(2-(4-(4-(pyridin-3-y...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1cccnc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3
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 3.01n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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 5.22n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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 5.22n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 D3 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326726
PNG
(7-(propyl(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ncccn1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3
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 6.84n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326730
PNG
(7-((2-(4-(4-iodophenyl)piperazin-1-yl)-ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(I)cc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C25H34IN3O/c1-2-11-28(24-7-3-20-4-10-25(30)19-21(20)18-24)15-12-27-13-16-29(17-14-27)23-8-5-22(26)6-9-23/h4-6,8-10,19,24,30H,2-3,7,11-18H2,1H3
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 7.66n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326732
PNG
((-)-6-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3
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 13.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326728
PNG
(7-(propyl(2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3
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 14.1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326733
PNG
((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
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 16.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50326733
PNG
((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
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 16.2n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326727
PNG
(7-(propyl(2-(4-(pyridin-3-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1cccnc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3
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 21.7n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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 29.3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326730
PNG
(7-((2-(4-(4-iodophenyl)piperazin-1-yl)-ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(I)cc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C25H34IN3O/c1-2-11-28(24-7-3-20-4-10-25(30)19-21(20)18-24)15-12-27-13-16-29(17-14-27)23-8-5-22(26)6-9-23/h4-6,8-10,19,24,30H,2-3,7,11-18H2,1H3
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 46.4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326731
PNG
((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
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 53.6n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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 58n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326729
PNG
(CHEMBL1254862 | rac-7-(propyl(2-(4-(4-(pyridin-3-y...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1cccnc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3
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 59.1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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 64.1n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326728
PNG
(7-(propyl(2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3
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 68.3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326725
PNG
(7-(propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccn1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C24H34N4O/c1-2-11-27(22-8-6-20-7-9-23(29)19-21(20)18-22)15-12-26-13-16-28(17-14-26)24-5-3-4-10-25-24/h3-5,7,9-10,19,22,29H,2,6,8,11-18H2,1H3
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 103n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326726
PNG
(7-(propyl(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethy...)
Show SMILES CCCN(CCN1CCN(CC1)c1ncccn1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C23H33N5O/c1-2-10-27(21-6-4-19-5-7-22(29)18-20(19)17-21)14-11-26-12-15-28(16-13-26)23-24-8-3-9-25-23/h3,5,7-9,18,21,29H,2,4,6,10-17H2,1H3
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 165n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50303791
PNG
((-)-(S)-N6-(2-(4-(Isoquinolin-1-yl)piperazin-1-yl)...)
Show SMILES CCCN(CCN1CCN(CC1)c1nccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C25H34N6S/c1-2-11-30(20-7-8-22-23(18-20)32-25(26)28-22)15-12-29-13-16-31(17-14-29)24-21-6-4-3-5-19(21)9-10-27-24/h3-6,9-10,20H,2,7-8,11-18H2,1H3,(H2,26,28)/t20-/m0/s1
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 269n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326733
PNG
((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
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 399n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50326733
PNG
((+)-7-(propyl(2-(4-(4-(pyridin-4-yl)-phenyl)pipera...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
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 399n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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 2.67E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50326731
PNG
((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
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n/an/an/an/a 52.6n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50326731
PNG
((-)-6-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-17-33(29-15-16-30-27(24-29)9-6-10-31(30)35)21-18-32-19-22-34(23-20-32)28-13-11-26(12-14-28)25-7-4-3-5-8-25/h3-14,29,35H,2,15-24H2,1H3
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n/an/an/an/a 0.25n/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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n/an/an/an/a 304n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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n/an/an/an/a 10.3n/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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n/an/an/an/a 108n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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 4.76n/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50326734
PNG
(7-((2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)(prop...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C31H39N3O/c1-2-16-33(30-14-10-27-11-15-31(35)24-28(27)23-30)20-17-32-18-21-34(22-19-32)29-12-8-26(9-13-29)25-6-4-3-5-7-25/h3-9,11-13,15,24,30,35H,2,10,14,16-23H2,1H3
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n/an/an/an/a 1.03n/an/an/an/a



Wayne State University

Curated by ChEMBL


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

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
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
PDB

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n/an/an/an/a 209n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding

Bioorg Med Chem 18: 5661-74 (2010)


Article DOI: 10.1016/j.bmc.2010.06.025
BindingDB Entry DOI: 10.7270/Q2W37WJ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%