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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'martino' and Initial = 'br'   
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(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(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))
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))
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(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(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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50145075
PNG
(2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benz...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
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160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on human Dopamine receptor D2 using [3H]spiperon 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
5-hydroxytryptamine receptor 1A


(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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200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A 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(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
Kappa-type opioid 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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300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor kappa 1


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))
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(3) 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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560n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D3


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))
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))
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))
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
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
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))
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))
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(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50145075
PNG
(2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benz...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(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
In vitro binding affinity tested on human 5-hydroxytryptamine 1A 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(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))
BDBM50145075
PNG
(2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benz...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
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1.50E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on human Dopamine receptor D2 (long) using [3H]spiperon 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50145075
PNG
(2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benz...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
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5.10E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on human Dopamine receptor D2 (short) 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50145075
PNG
(2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benz...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
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2.78E+6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on human 5-hydroxytryptamine 1A 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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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells using 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))
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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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells using 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))
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
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