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Compile Data Set for Download or QSAR

Found 372 hits Enz. Inhib. hit(s) with all data for entry = 50018237   
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))
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))
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))
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))
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))
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(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(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))
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))
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(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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50193322
PNG
(1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)pro...)
Show SMILES CO\N=C(\CCN1CCN(CC1)c1ccccn1)c1cccnc1
Show InChI InChI=1S/C18H23N5O/c1-24-21-17(16-5-4-8-19-15-16)7-10-22-11-13-23(14-12-22)18-6-2-3-9-20-18/h2-6,8-9,15H,7,10-14H2,1H3/b21-17-
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130n/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))
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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132n/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))
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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134n/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))
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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137n/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))
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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140n/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))
BDBM50193335
PNG
(1-(4-chlorophenyl)-2-methyl-3-(4-pyridin-2-ylpiper...)
Show SMILES CO\N=C(/C(C)CN1CCN(CC1)c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-16(20(23-26-2)17-6-8-18(21)9-7-17)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,16H,11-15H2,1-2H3/b23-20+
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146n/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))
BDBM50193313
PNG
((Z)-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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150n/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))
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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164n/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))
BDBM50193364
PNG
((E)-1-phenyl-3-(4-thiazol-2-ylpiperazin-1-yl)propa...)
Show SMILES CCO\N=C(/CCN1CCN(CC1)c1nccs1)c1ccccc1
Show InChI InChI=1S/C18H24N4OS/c1-2-23-20-17(16-6-4-3-5-7-16)8-10-21-11-13-22(14-12-21)18-19-9-15-24-18/h3-7,9,15H,2,8,10-14H2,1H3/b20-17+
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168n/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))
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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168n/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))
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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171n/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))
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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172n/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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