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PubMed code 20146482

Compile data set for download or QSAR
Found 19 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


(Homo sapiens (Human))		BDBM50307830
PNG
((S)-6-(propyl(2-(4-(quinolin-4-yl)piperazin-1-yl)e...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2ccccc12)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C28H36N4O/c1-2-14-31(23-10-11-24-22(21-23)6-5-9-28(24)33)18-15-30-16-19-32(20-17-30)27-12-13-29-26-8-4-3-7-25(26)27/h3-9,12-13,23,33H,2,10-11,14-21H2,1H3/t23-/m0/s1
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 0.186n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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 0.818n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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 0.818n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		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 cloned dopamine D3 receptor expressed in HEK cells

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
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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 1.36n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		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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 2.35n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307834
PNG
(5-((4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(O)c2ncccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-8-9-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-10-11-27(34)28-24(25)6-4-12-29-28/h3-7,10-12,22,33-34H,2,8-9,13-20H2,1H3
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 3.71n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307831
PNG
(5-((4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthalen-...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccc(O)c2ncccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-7-5-21-6-8-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-9-10-27(34)28-25(26)4-3-11-29-28/h3-4,6,8-11,20,23,33-34H,2,5,7,12-19H2,1H3
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 5.57n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307832
PNG
((+)-4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3
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 7.73n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307832
PNG
((+)-4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3
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 7.73n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307832
PNG
((+)-4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3
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 7.73n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


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

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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n/an/an/an/a 0.740n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
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
Agonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
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 by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
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 by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50307832
PNG
((+)-4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3
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n/an/an/an/a 4.51n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
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 by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50307833
PNG
((+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-12-31(23-8-6-21-7-9-24(33)20-22(21)19-23)16-13-30-14-17-32(18-15-30)26-10-11-29-28-25(26)4-3-5-27(28)34/h3-5,7,9-11,20,23,33-34H,2,6,8,12-19H2,1H3
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n/an/an/an/a 1.69n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50307832
PNG
((+)-4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthal...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccnc2c(O)cccc12)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C28H36N4O2/c1-2-13-31(22-9-10-23-21(20-22)5-3-7-26(23)33)17-14-30-15-18-32(19-16-30)25-11-12-29-28-24(25)6-4-8-27(28)34/h3-8,11-12,22,33-34H,2,9-10,13-20H2,1H3
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n/an/an/an/a 1.58n/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 53: 2114-25 (2010)


Article DOI: 10.1021/jm901618d
BindingDB Entry DOI: 10.7270/Q20K28QZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%