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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'darbyshire' and Initial = 'jf'   
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(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))
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))
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))
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))
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))
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200066
PNG
(CHEMBL220189 | N-(3',4',5',6'-tetrahydro-2'H-[2,4'...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)20(23)21-15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
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235n/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))
BDBM50200030
PNG
(2-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'bipyridin...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)20-19(23)14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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294n/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))
BDBM50200041
PNG
(CHEMBL219261 | N-(2-methyl-4-fluorophenyl)-2-(1-ox...)
Show SMILES Cc1cc(F)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H22FN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
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405n/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))
BDBM50200050
PNG
(ABT-670 | CHEMBL219182 | methyl-N-(1-oxy-3',4',5',...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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1.45E+3n/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))
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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2.90E+3n/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(2) 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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3.50E+3n/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(2) 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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3.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200041
PNG
(CHEMBL219261 | N-(2-methyl-4-fluorophenyl)-2-(1-ox...)
Show SMILES Cc1cc(F)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H22FN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
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>1.00E+4n/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(2) 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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human D2S receptor


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))
BDBM50200041
PNG
(CHEMBL219261 | N-(2-methyl-4-fluorophenyl)-2-(1-ox...)
Show SMILES Cc1cc(F)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H22FN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human D2S receptor


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))
BDBM50200030
PNG
(2-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'bipyridin...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)20-19(23)14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human D2S receptor


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))
BDBM50200050
PNG
(ABT-670 | CHEMBL219182 | methyl-N-(1-oxy-3',4',5',...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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>1.00E+4n/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(2) 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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>1.00E+4n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200030
PNG
(2-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'bipyridin...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)20-19(23)14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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>1.00E+4n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200050
PNG
(ABT-670 | CHEMBL219182 | methyl-N-(1-oxy-3',4',5',...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human D2S receptor


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))
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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n/an/an/an/a 4.30n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 18n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 2.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 5.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 14n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200050
PNG
(ABT-670 | CHEMBL219182 | methyl-N-(1-oxy-3',4',5',...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
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n/an/an/an/a 160n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at ferret D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200041
PNG
(CHEMBL219261 | N-(2-methyl-4-fluorophenyl)-2-(1-ox...)
Show SMILES Cc1cc(F)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H22FN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
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n/an/an/an/a 60n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 1.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at ferret D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 1.5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at ferret D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at ferret D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a>1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200026
PNG
(2-[1-[2-(m-tolylamino)allyl]piperidin-4-yl]benzoni...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C21H23N3O/c1-16-5-4-7-19(13-16)23-21(25)15-24-11-9-17(10-12-24)20-8-3-2-6-18(20)14-22/h2-8,13,17H,9-12,15H2,1H3,(H,23,25)
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n/an/an/an/a 8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200024
PNG
(CHEMBL219565 | N-(2-methoxy-6-methylphenyl)-2-(1-o...)
Show SMILES COc1cccc(C)c1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C20H25N3O3/c1-15-6-5-8-18(26-2)20(15)21-19(24)14-22-12-9-16(10-13-22)17-7-3-4-11-23(17)25/h3-8,11,16H,9-10,12-14H2,1-2H3,(H,21,24)
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n/an/an/an/a 340n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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


(Rattus norvegicus (rat))
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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n/an/an/an/a 0.400n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200025
PNG
(3-ethoxy-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'...)
Show SMILES CCOc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C20H25N3O3/c1-2-26-18-7-5-6-17(14-18)20(24)21-15-22-12-9-16(10-13-22)19-8-3-4-11-23(19)25/h3-8,11,14,16H,2,9-10,12-13,15H2,1H3,(H,21,24)
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n/an/an/an/a 324n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200027
PNG
(6-chloro-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'...)
Show SMILES [O-][n+]1ccccc1C1CCN(CNC(=O)c2cnccc2Cl)CC1
Show InChI InChI=1S/C17H19ClN4O2/c18-15-4-7-19-11-14(15)17(23)20-12-21-9-5-13(6-10-21)16-3-1-2-8-22(16)24/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,20,23)
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n/an/an/an/a 1.29E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200031
PNG
(2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(m-tolyl)a...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(O)c2)c1
Show InChI InChI=1S/C20H24N2O2/c1-15-4-2-6-18(12-15)21-20(24)14-22-10-8-16(9-11-22)17-5-3-7-19(23)13-17/h2-7,12-13,16,23H,8-11,14H2,1H3,(H,21,24)
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n/an/an/an/a 8n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200033
PNG
(2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetam...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2nccs2)c1
Show InChI InChI=1S/C17H21N3OS/c1-13-3-2-4-15(11-13)19-16(21)12-20-8-5-14(6-9-20)17-18-7-10-22-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200034
PNG
(CHEMBL219564 | N-(2,3-dichlorophenyl)-2-(1-oxy-3',...)
Show SMILES [O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C18H19Cl2N3O2/c19-14-4-3-5-15(18(14)20)21-17(24)12-22-10-7-13(8-11-22)16-6-1-2-9-23(16)25/h1-6,9,13H,7-8,10-12H2,(H,21,24)
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n/an/an/an/a 180n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200035
PNG
(CHEMBL219417 | N-(3-fluorophenyl)-2-(1-oxy-3',4',5...)
Show SMILES [O-][n+]1ccccc1C1CCN(CC(=O)Nc2cccc(F)c2)CC1
Show InChI InChI=1S/C18H20FN3O2/c19-15-4-3-5-16(12-15)20-18(23)13-21-10-7-14(8-11-21)17-6-1-2-9-22(17)24/h1-6,9,12,14H,7-8,10-11,13H2,(H,20,23)
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n/an/an/an/a 160n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200036
PNG
(3-cyano-N-(1-oxy-3',4',5',6'-tetrahydro-2'H-[2,4'-...)
Show SMILES [O-][n+]1ccccc1C1CCN(CNC(=O)c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C19H20N4O2/c20-13-15-4-3-5-17(12-15)19(24)21-14-22-10-7-16(8-11-22)18-6-1-2-9-23(18)25/h1-6,9,12,16H,7-8,10-11,14H2,(H,21,24)
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n/an/an/an/a 840n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200032
PNG
(CHEMBL219389 | N-(3-ethylphenyl)-2-(1-oxy-3',4',5'...)
Show SMILES CCc1cccc(NC(=O)CN2CCC(CC2)c2cccc[n+]2[O-])c1
Show InChI InChI=1S/C20H25N3O2/c1-2-16-6-5-7-18(14-16)21-20(24)15-22-12-9-17(10-13-22)19-8-3-4-11-23(19)25/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,21,24)
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n/an/an/an/a 95n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200040
PNG
(CHEMBL426167 | N-(2,6-dimethylphenyl)-2-(1-oxy-3',...)
Show SMILES Cc1cccc(C)c1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C20H25N3O2/c1-15-6-5-7-16(2)20(15)21-19(24)14-22-12-9-17(10-13-22)18-8-3-4-11-23(18)25/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,21,24)
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n/an/an/an/a 346n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200042
PNG
(CHEMBL219130 | N-(m-tolyl)-2-[4-(o-tolyl)piperidin...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C21H26N2O/c1-16-6-5-8-19(14-16)22-21(24)15-23-12-10-18(11-13-23)20-9-4-3-7-17(20)2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
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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n/an/an/an/a 9n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200038
PNG
(2-(3-cyano-3',4',5',6'-tetrahydro-2'H-[2,4'-bipyri...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2cccc(n2)C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-15-4-2-5-17(12-15)23-20(25)14-24-10-8-16(9-11-24)19-7-3-6-18(13-21)22-19/h2-7,12,16H,8-11,14H2,1H3,(H,23,25)
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n/an/an/an/a 36n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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))
BDBM50200039
PNG
(CHEMBL219211 | N-(2-methyl-4-bromophenyl)-2-(1-oxy...)
Show SMILES Cc1cc(Br)ccc1NC(=O)CN1CCC(CC1)c1cccc[n+]1[O-]
Show InChI InChI=1S/C19H22BrN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
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n/an/an/an/a 66n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 2.40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


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
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