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Compile Data Set for Download or QSAR

Found 542 hits with Last Name = 'hollingsworth' and Initial = 'pr'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50145073
PNG
(5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...)
Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human D4.4 receptor


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150143
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193321
PNG
((Z)-1-(3,5-difluorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18-
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6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193296
PNG
((Z)-1-(3-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18-
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6.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193331
PNG
((E)-1-(3,4-dichlorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200037
PNG
(2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193330
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)pr...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O/c1-17-6-5-7-18(16-17)19(22-25-2)9-11-23-12-14-24(15-13-23)20-8-3-4-10-21-20/h3-8,10,16H,9,11-15H2,1-2H3/b22-19+
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193290
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(o-tolyl)pr...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1C
Show InChI InChI=1S/C20H26N4O/c1-17-7-3-4-8-18(17)19(22-25-2)10-12-23-13-15-24(16-14-23)20-9-5-6-11-21-20/h3-9,11H,10,12-16H2,1-2H3/b22-19+
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11.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193361
PNG
((Z)-1-(4-chloro-3-methylphenyl)-3-(4-pyridin-2-ylp...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C20H25ClN4O/c1-16-15-17(6-7-18(16)21)19(23-26-2)8-10-24-11-13-25(14-12-24)20-5-3-4-9-22-20/h3-7,9,15H,8,10-14H2,1-2H3/b23-19-
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11.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193307
PNG
((E)-1-(3-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18+
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13.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193350
PNG
((E)-1-(3-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18+
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13.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193378
PNG
((E)-1-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-7-17(20)8-6-16)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3/b22-18+
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14.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193311
PNG
((Z)-1-(4-chlorophenyl)-3-(3',4',5',6'-tetrahydro-2...)
Show SMILES CO\N=C(\CCN1CCC(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20-
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19.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193357
PNG
((Z)-4-[1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H23N5O/c1-26-23-19(18-6-4-5-17(15-18)16-21)8-10-24-11-13-25(14-12-24)20-7-2-3-9-22-20/h2-7,9,15H,8,10-14H2,1H3/b23-19-
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20.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193306
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H24N4O/c1-24-21-18(17-7-3-2-4-8-17)10-12-22-13-15-23(16-14-22)19-9-5-6-11-20-19/h2-9,11H,10,12-16H2,1H3/b21-18+
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22.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193315
PNG
((E)-1-(4-chlorophenyl)-3-(3',4',5',6'-tetrahydro-2...)
Show SMILES CO\N=C(/CCN1CCC(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20+
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25.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193312
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES O=NC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,17H,9,11-15H2
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25.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193289
PNG
((E)-1-(3,4-dimethylphenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C21H28N4O/c1-17-7-8-19(16-18(17)2)20(23-26-3)9-11-24-12-14-25(15-13-24)21-6-4-5-10-22-21/h4-8,10,16H,9,11-15H2,1-3H3/b23-20+
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27.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200043
PNG
(3-methyl-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipyr...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1ccccn1
Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)19(23)21-14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193317
PNG
((Z)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)pr...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O/c1-17-6-5-7-18(16-17)19(22-25-2)9-11-23-12-14-24(15-13-23)20-8-3-4-10-21-20/h3-8,10,16H,9,11-15H2,1-2H3/b22-19-
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32.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50145079
PNG
(2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazol...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)22-12-10-21(11-13-22)14-18-19-16-8-4-5-9-17(16)20-18/h1-9H,10-14H2,(H,19,20)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity tested against D4.2 receptor in Chinese hamster ovary cell line (CHO cells) using [3H]spiperone as a radioligand


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193323
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-2-25-22-19(18-8-4-3-5-9-18)11-13-23-14-16-24(17-15-23)20-10-6-7-12-21-20/h3-10,12H,2,11,13-17H2,1H3/b22-19+
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38n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193303
PNG
((E)-1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23ClN4O/c1-25-22-18(16-5-7-17(20)8-6-16)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3/b22-18+
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38.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193296
PNG
((Z)-1-(3-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18-
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46.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193334
PNG
((Z)-1-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-7-17(20)8-6-16)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3/b22-18-
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53.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193361
PNG
((Z)-1-(4-chloro-3-methylphenyl)-3-(4-pyridin-2-ylp...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C20H25ClN4O/c1-16-15-17(6-7-18(16)21)19(23-26-2)8-10-24-11-13-25(14-12-24)20-5-3-4-9-22-20/h3-7,9,15H,8,10-14H2,1-2H3/b23-19-
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60.9n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193303
PNG
((E)-1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23ClN4O/c1-25-22-18(16-5-7-17(20)8-6-16)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3/b22-18+
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63.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193331
PNG
((E)-1-(3,4-dichlorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N4O/c1-26-23-18(15-5-6-16(20)17(21)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
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64.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193375
PNG
((E)-1-(4-chlorophenyl)-3-(2-methyl-4-pyridin-2-ylp...)
Show SMILES CO\N=C(/CCN1CCN(CC1C)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-16-15-25(20-5-3-4-11-22-20)14-13-24(16)12-10-19(23-26-2)17-6-8-18(21)9-7-17/h3-9,11,16H,10,12-15H2,1-2H3/b23-19+
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67.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193317
PNG
((Z)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)pr...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O/c1-17-6-5-7-18(16-17)19(22-25-2)9-11-23-12-14-24(15-13-23)20-8-3-4-10-21-20/h3-8,10,16H,9,11-15H2,1-2H3/b22-19-
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68n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193330
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)pr...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(C)c1
Show InChI InChI=1S/C20H26N4O/c1-17-6-5-7-18(16-17)19(22-25-2)9-11-23-12-14-24(15-13-23)20-8-3-4-10-21-20/h3-8,10,16H,9,11-15H2,1-2H3/b22-19+
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68.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193372
PNG
((E)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-2-ylp...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H22ClFN4O/c1-26-23-18(15-5-6-17(21)16(20)14-15)7-9-24-10-12-25(13-11-24)19-4-2-3-8-22-19/h2-6,8,14H,7,9-13H2,1H3/b23-18+
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71.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193375
PNG
((E)-1-(4-chlorophenyl)-3-(2-methyl-4-pyridin-2-ylp...)
Show SMILES CO\N=C(/CCN1CCN(CC1C)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-16-15-25(20-5-3-4-11-22-20)14-13-24(16)12-10-19(23-26-2)17-6-8-18(21)9-7-17/h3-9,11,16H,10,12-15H2,1-2H3/b23-19+
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76.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193316
PNG
(CHEMBL376955 | [1-phenyl-3-(4-pyridin-2-ylpiperazi...)
Show SMILES N#CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H23N5O/c21-10-17-26-23-19(18-6-2-1-3-7-18)9-12-24-13-15-25(16-14-24)20-8-4-5-11-22-20/h1-8,11H,9,12-17H2/b23-19+
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88n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193311
PNG
((Z)-1-(4-chlorophenyl)-3-(3',4',5',6'-tetrahydro-2...)
Show SMILES CO\N=C(\CCN1CCC(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20-
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90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193307
PNG
((E)-1-(3-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18+
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98.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193350
PNG
((E)-1-(3-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18+
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101n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193360
PNG
((E)-1-(3,5-difluorophenyl)-3-(4-pyridin-2-ylpipera...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18+
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193290
PNG
((E)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(o-tolyl)pr...)
Show SMILES CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1C
Show InChI InChI=1S/C20H26N4O/c1-17-7-3-4-8-18(17)19(22-25-2)10-12-23-13-15-24(16-14-23)20-9-5-6-11-21-20/h3-9,11H,10,12-16H2,1-2H3/b22-19+
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112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193336
PNG
((E)-1-(4-chlorophenyl)-2-hydroxy-3-(4-pyridin-2-yl...)
Show SMILES CO\N=C(\C(O)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23ClN4O2/c1-26-22-19(15-5-7-16(20)8-6-15)17(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,17,25H,10-14H2,1H3/b22-19+
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113n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50145073
PNG
(5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...)
Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
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120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193320
PNG
(1-(4-chlorophenyl)-2-(methoxyaminomethyl)-3-(4-pyr...)
Show SMILES CONCC(CN1CCN(CC1)c1ccccn1)C(=N/OC)\c1ccc(Cl)cc1
Show InChI InChI=1S/C21H28ClN5O2/c1-28-24-15-18(21(25-29-2)17-6-8-19(22)9-7-17)16-26-11-13-27(14-12-26)20-5-3-4-10-23-20/h3-10,18,24H,11-16H2,1-2H3/b25-21-
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120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193357
PNG
((Z)-4-[1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H23N5O/c1-26-23-19(18-6-4-5-17(15-18)16-21)8-10-24-11-13-25(14-12-24)20-7-2-3-9-22-20/h2-7,9,15H,8,10-14H2,1H3/b23-19-
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125n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193323
PNG
((E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propa...)
Show SMILES CCO\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-2-25-22-19(18-8-4-3-5-9-18)11-13-23-14-16-24(17-15-23)20-10-6-7-12-21-20/h3-10,12H,2,11,13-17H2,1H3/b22-19+
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128n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells


J Med Chem 49: 5093-109 (2006)


Article DOI: 10.1021/jm060279f
BindingDB Entry DOI: 10.7270/Q2CJ8D4B
More data for this
Ligand-Target Pair
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