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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50027776   
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))
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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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0.925n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273994
PNG
((S)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m0/s1
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4.15n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273418
PNG
((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...)
Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1
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4.95n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273418
PNG
((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...)
Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1
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4.95n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273939
PNG
((R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
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-/m1/s1
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18.4n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273418
PNG
((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...)
Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1
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23.6n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273418
PNG
((+/-)-trans-4-(2-(4-Phenylpiperazin-1-yl)ethyl)-1,...)
Show SMILES Oc1cccc2[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m0/s1
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23.6n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273936
PNG
((S)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
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-/m0/s1
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38.6n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273995
PNG
((R)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m1/s1
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44n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273993
PNG
((4aS,10bS)-4-(2-(4-phenylpiperazin-1-yl)ethyl)-1,2...)
Show SMILES Oc1ccc2CC[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-22-10-8-20-9-11-25-23(24(20)19-22)7-4-12-28(25)18-15-26-13-16-27(17-14-26)21-5-2-1-3-6-21/h1-3,5-6,8,10,19,23,25,29H,4,7,9,11-18H2/t23-,25-/m0/s1
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72.2n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273419
PNG
((+)-(4aR,10aR)-trans-4-(2-(4-Phenylpiperazin-1-yl)...)
Show SMILES Oc1cccc2[C@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m1/s1
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89.3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273466
PNG
((+/-)-trans-4-propyl-1,2,3,4,4a,5,6,10b-octahydrob...)
Show SMILES CCCN1CCC[C@@H]2[C@@H]1CCc1c(O)cccc21 |r|
Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-12-5-3-7-16(18)14(12)8-9-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m0/s1
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96n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273417
PNG
((+/-)-trans-1-[4-(4-Phenylpiperazin-1-yl)butyl]-1,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCCCN4CCN(CC4)c4ccccc4)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C27H37N3O/c31-26-11-10-22-19-23-7-6-14-30(27(23)21-24(22)20-26)13-5-4-12-28-15-17-29(18-16-28)25-8-2-1-3-9-25/h1-3,8-11,20,23,27,31H,4-7,12-19,21H2/t23-,27-/m0/s1
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102n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273468
PNG
((+/-)-trans-1-{2-[4-(2,3-Dichlorophenyl)piperazin-...)
Show SMILES Oc1cccc2C[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3cccc(Cl)c3Cl)Cc12 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-6-2-7-22(25(21)27)30-14-11-28(12-15-30)10-13-29-9-3-5-19-16-20-18(17-23(19)29)4-1-8-24(20)31/h1-2,4,6-8,19,23,31H,3,5,9-17H2/t19-,23-/m0/s1
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136n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273341
PNG
((+/-)-cis-1-{2-[4-(2,3-Dichlorophenyl)piperazin-1-...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4cccc(Cl)c4Cl)[C@@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-22-4-1-5-23(25(22)27)30-13-10-28(11-14-30)9-12-29-8-2-3-19-15-18-6-7-21(31)16-20(18)17-24(19)29/h1,4-7,16,19,24,31H,2-3,8-15,17H2/t19-,24+/m0/s1
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148n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273468
PNG
((+/-)-trans-1-{2-[4-(2,3-Dichlorophenyl)piperazin-...)
Show SMILES Oc1cccc2C[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3cccc(Cl)c3Cl)Cc12 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-6-2-7-22(25(21)27)30-14-11-28(12-15-30)10-13-29-9-3-5-19-16-20-18(17-23(19)29)4-1-8-24(20)31/h1-2,4,6-8,19,23,31H,3,5,9-17H2/t19-,23-/m0/s1
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168n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273341
PNG
((+/-)-cis-1-{2-[4-(2,3-Dichlorophenyl)piperazin-1-...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4cccc(Cl)c4Cl)[C@@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-22-4-1-5-23(25(22)27)30-13-10-28(11-14-30)9-12-29-8-2-3-19-15-18-6-7-21(31)16-20(18)17-24(19)29/h1,4-7,16,19,24,31H,2-3,8-15,17H2/t19-,24+/m0/s1
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187n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273993
PNG
((4aS,10bS)-4-(2-(4-phenylpiperazin-1-yl)ethyl)-1,2...)
Show SMILES Oc1ccc2CC[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-22-10-8-20-9-11-25-23(24(20)19-22)7-4-12-28(25)18-15-26-13-16-27(17-14-26)21-5-2-1-3-6-21/h1-3,5-6,8,10,19,23,25,29H,4,7,9,11-18H2/t23-,25-/m0/s1
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219n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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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234n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273939
PNG
((R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
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-/m1/s1
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238n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273994
PNG
((S)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m0/s1
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243n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273343
PNG
((+/-)-trans-1-{2-[4-(2,3-Dichlorophenyl)piperazin-...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4cccc(Cl)c4Cl)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-22-4-1-5-23(25(22)27)30-13-10-28(11-14-30)9-12-29-8-2-3-19-15-18-6-7-21(31)16-20(18)17-24(19)29/h1,4-7,16,19,24,31H,2-3,8-15,17H2/t19-,24-/m0/s1
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256n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273417
PNG
((+/-)-trans-1-[4-(4-Phenylpiperazin-1-yl)butyl]-1,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCCCN4CCN(CC4)c4ccccc4)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C27H37N3O/c31-26-11-10-22-19-23-7-6-14-30(27(23)21-24(22)20-26)13-5-4-12-28-15-17-29(18-16-28)25-8-2-1-3-9-25/h1-3,8-11,20,23,27,31H,4-7,12-19,21H2/t23-,27-/m0/s1
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289n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273343
PNG
((+/-)-trans-1-{2-[4-(2,3-Dichlorophenyl)piperazin-...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4cccc(Cl)c4Cl)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O/c26-22-4-1-5-23(25(22)27)30-13-10-28(11-14-30)9-12-29-8-2-3-19-15-18-6-7-21(31)16-20(18)17-24(19)29/h1,4-7,16,19,24,31H,2-3,8-15,17H2/t19-,24-/m0/s1
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338n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273466
PNG
((+/-)-trans-4-propyl-1,2,3,4,4a,5,6,10b-octahydrob...)
Show SMILES CCCN1CCC[C@@H]2[C@@H]1CCc1c(O)cccc21 |r|
Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-4-6-13-12-5-3-7-16(18)14(12)8-9-15(13)17/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m0/s1
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347n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273465
PNG
((+/-)-trans-1-Propyl-1,2,3,4,4a,5,10,10a-octahydro...)
Show SMILES CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m1/s1
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395n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273340
PNG
((+/-)-cis-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,2,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-24-9-8-20-17-21-5-4-10-28(25(21)19-22(20)18-24)16-13-26-11-14-27(15-12-26)23-6-2-1-3-7-23/h1-3,6-9,18,21,25,29H,4-5,10-17,19H2/t21-,25+/m0/s1
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419n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273342
PNG
((+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-24-9-8-20-17-21-5-4-10-28(25(21)19-22(20)18-24)16-13-26-11-14-27(15-12-26)23-6-2-1-3-7-23/h1-3,6-9,18,21,25,29H,4-5,10-17,19H2/t21-,25-/m0/s1
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473n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50273467
PNG
((+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,...)
Show SMILES Oc1cccc2C[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)Cc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-6-20-19-24-21(18-23(20)25)7-5-11-28(24)17-14-26-12-15-27(16-13-26)22-8-2-1-3-9-22/h1-4,6,8-10,21,24,29H,5,7,11-19H2/t21-,24-/m0/s1
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736n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273936
PNG
((S)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...)
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-/m0/s1
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809n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273419
PNG
((+)-(4aR,10aR)-trans-4-(2-(4-Phenylpiperazin-1-yl)...)
Show SMILES Oc1cccc2[C@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@@H]3CCc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-8-21-22-9-5-13-28(24(22)12-11-23(21)25)19-16-26-14-17-27(18-15-26)20-6-2-1-3-7-20/h1-4,6-8,10,22,24,29H,5,9,11-19H2/t22-,24-/m1/s1
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835n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273467
PNG
((+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,...)
Show SMILES Oc1cccc2C[C@H]3[C@@H](CCCN3CCN3CCN(CC3)c3ccccc3)Cc12 |r|
Show InChI InChI=1S/C25H33N3O/c29-25-10-4-6-20-19-24-21(18-23(20)25)7-5-11-28(24)17-14-26-12-15-27(16-13-26)22-8-2-1-3-9-22/h1-4,6,8-10,21,24,29H,5,7,11-19H2/t21-,24-/m0/s1
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1.71E+3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273995
PNG
((R)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl...)
Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2nc(N)sc2C1 |r|
Show InChI InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m1/s1
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1.98E+3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273342
PNG
((+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-24-9-8-20-17-21-5-4-10-28(25(21)19-22(20)18-24)16-13-26-11-14-27(15-12-26)23-6-2-1-3-7-23/h1-3,6-9,18,21,25,29H,4-5,10-17,19H2/t21-,25-/m0/s1
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2.52E+3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273465
PNG
((+/-)-trans-1-Propyl-1,2,3,4,4a,5,10,10a-octahydro...)
Show SMILES CCCN1CCC[C@@H]2Cc3c(O)cccc3C[C@@H]12 |r|
Show InChI InChI=1S/C16H23NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h3,5,7,13,15,18H,2,4,6,8-11H2,1H3/t13-,15-/m1/s1
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2.78E+3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50273340
PNG
((+/-)-cis-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,2,...)
Show SMILES Oc1ccc2C[C@@H]3CCCN(CCN4CCN(CC4)c4ccccc4)[C@@H]3Cc2c1 |r|
Show InChI InChI=1S/C25H33N3O/c29-24-9-8-20-17-21-5-4-10-28(25(21)19-22(20)18-24)16-13-26-11-14-27(15-12-26)23-6-2-1-3-7-23/h1-3,6-9,18,21,25,29H,4-5,10-17,19H2/t21-,25+/m0/s1
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3.33E+3n/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


J Med Chem 51: 7806-19 (2008)


Article DOI: 10.1021/jm8008629
BindingDB Entry DOI: 10.7270/Q22B8XWJ
More data for this
Ligand-Target Pair