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Compile Data Set for Download or QSAR

Found 25139 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptor'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.92 -48.7n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248055
PNG
(5-(4-((5-cyclopentenylpyridin-3-yl)methyl)piperazi...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cncc(c2)C2=CCCC2)CC1
Show InChI InChI=1S/C22H25N5O/c28-22-24-20-6-5-19(12-21(20)25-22)27-9-7-26(8-10-27)15-16-11-18(14-23-13-16)17-3-1-2-4-17/h3,5-6,11-14H,1-2,4,7-10,15H2,(H2,24,25,28)
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3.10 -48.6n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248049
PNG
(5-(1-((5-cyclopentenylpyridin-3-yl)methyl)piperidi...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cncc(c2)C2=CCCC2)CC1
Show InChI InChI=1S/C23H26N4O/c28-23-25-21-6-5-19(12-22(21)26-23)18-7-9-27(10-8-18)15-16-11-20(14-24-13-16)17-3-1-2-4-17/h3,5-6,11-14,18H,1-2,4,7-10,15H2,(H2,25,26,28)
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4.26 -47.8n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248048
PNG
(5-(1-(3-cyclopentenylbenzyl)piperidin-4-yl)-1H-ben...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cccc(c2)C2=CCCC2)CC1
Show InChI InChI=1S/C24H27N3O/c28-24-25-22-9-8-21(15-23(22)26-24)19-10-12-27(13-11-19)16-17-4-3-7-20(14-17)18-5-1-2-6-18/h3-5,7-9,14-15,19H,1-2,6,10-13,16H2,(H2,25,26,28)
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8.12 -46.2n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248056
PNG
(1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Show InChI InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
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8.40 -46.1n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50241119
PNG
(7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...)
Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1
Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)
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8.81 -46.0n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248054
PNG
(5-(4-(3-cyclopentenylbenzyl)piperazin-1-yl)-1H-ben...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cccc(c2)C2=CCCC2)CC1
Show InChI InChI=1S/C23H26N4O/c28-23-24-21-9-8-20(15-22(21)25-23)27-12-10-26(11-13-27)16-17-4-3-7-19(14-17)18-5-1-2-6-18/h3-5,7-9,14-15H,1-2,6,10-13,16H2,(H2,24,25,28)
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10.4 -45.6n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248052
PNG
(5-(4-((5-phenylpyridin-3-yl)methyl)piperazin-1-yl)...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cncc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H23N5O/c29-23-25-21-7-6-20(13-22(21)26-23)28-10-8-27(9-11-28)16-17-12-19(15-24-14-17)18-4-2-1-3-5-18/h1-7,12-15H,8-11,16H2,(H2,25,26,29)
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12.6 -45.1n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248046
PNG
(5-(1-((5-phenylpyridin-3-yl)methyl)piperidin-4-yl)...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cncc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H24N4O/c29-24-26-22-7-6-20(13-23(22)27-24)19-8-10-28(11-9-19)16-17-12-21(15-25-14-17)18-4-2-1-3-5-18/h1-7,12-15,19H,8-11,16H2,(H2,26,27,29)
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18.5 -44.1n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248047
PNG
(5-(1-((5-(4-Fluorophenyl)pyridin-3-yl)methyl)piper...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCC(CC2)c2ccc3[nH]c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C24H23FN4O/c25-21-4-1-17(2-5-21)20-11-16(13-26-14-20)15-29-9-7-18(8-10-29)19-3-6-22-23(12-19)28-24(30)27-22/h1-6,11-14,18H,7-10,15H2,(H2,27,28,30)
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24.6 -43.4n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248045
PNG
(5-(1-((4'-Fluorobiphenyl-4-yl)methyl)piperidin...)
Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCC(CC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C25H24FN3O/c26-22-8-5-19(6-9-22)18-3-1-17(2-4-18)16-29-13-11-20(12-14-29)21-7-10-23-24(15-21)28-25(30)27-23/h1-10,15,20H,11-14,16H2,(H2,27,28,30)
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34.4 -42.6n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248050
PNG
(5-(4-(biphenyl-4-ylmethyl)piperazin-1-yl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H24N4O/c29-24-25-22-11-10-21(16-23(22)26-24)28-14-12-27(13-15-28)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2,(H2,25,26,29)
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42.2 -42.1n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248051
PNG
(5-(4-((4'-fluorobiphenyl-4-yl)methyl)piperazin...)
Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C24H23FN4O/c25-20-7-5-19(6-8-20)18-3-1-17(2-4-18)16-28-11-13-29(14-12-28)21-9-10-22-23(15-21)27-24(30)26-22/h1-10,15H,11-14,16H2,(H2,26,27,30)
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62.6 -41.1n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86564
PNG
(Azanium analog, 56)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1
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80 -40.1n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248053
PNG
(5-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piper...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C23H22FN5O/c24-19-3-1-17(2-4-19)18-11-16(13-25-14-18)15-28-7-9-29(10-8-28)20-5-6-21-22(12-20)27-23(30)26-21/h1-6,11-14H,7-10,15H2,(H2,26,27,30)
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82 -40.4n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248044
PNG
(5-(1-(biphenyl-4-ylmethyl)piperidin-4-yl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H25N3O/c29-25-26-23-11-10-22(16-24(23)27-25)21-12-14-28(15-13-21)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16,21H,12-15,17H2,(H2,26,27,29)
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96.2 -40.0n/an/an/an/an/a7.425



King Fahd University of Petroleum & Minerals



Assay Description
Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...


J Enzyme Inhib Med Chem 29: 281-91 (2014)


Article DOI: 10.3109/14756366.2013.776556
BindingDB Entry DOI: 10.7270/Q2SN07WV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86570
PNG
(Azanium analog, 62)
Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1
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100 -39.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86569
PNG
(Azanium analog, 61)
Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1
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100 -39.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86568
PNG
(Azanium analog, 60)
Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
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100 -39.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86563
PNG
(Azanium analog, 55)
Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86562
PNG
(Azanium analog, 54)
Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86561
PNG
(Azanium analog, 53)
Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H13Cl2NO2/c14-10-5-9(6-11(15)7-10)13-2-1-12(18-13)8-16-3-4-17/h1-2,5-7,16-17H,3-4,8H2/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86569
PNG
(Azanium analog, 61)
Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86563
PNG
(Azanium analog, 55)
Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86562
PNG
(Azanium analog, 54)
Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86552
PNG
(Piperidin-1-ium analog, 4)
Show SMILES O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H19N3OS2/c21-14(16-6-3-11-22-16)12-19-7-9-20(10-8-19)17-13-4-1-2-5-15(13)23-18-17/h1-6,11,14,21H,7-10,12H2/p+1/t14-/m0/s1
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200 -37.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86564
PNG
(Azanium analog, 56)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86558
PNG
(Piperidin-1-ium analog, 30)
Show SMILES CCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86566
PNG
(Azanium analog, 58)
Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H13Cl2NO2/c14-9-1-3-12(15)11(7-9)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86556
PNG
(Azanium analog, 28)
Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86567
PNG
(Azanium analog, 59)
Show SMILES CCC(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H17Cl2NO2/c1-2-11(9-19)18-8-12-4-6-15(20-12)13-7-10(16)3-5-14(13)17/h3-7,11,18-19H,2,8-9H2,1H3/p+1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86565
PNG
(Azanium analog, 57)
Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1
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300 -36.9n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86553
PNG
(Piperidin-1-ium analog, 5)
Show SMILES OCCN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-9,23H,10-17H2/p+1
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400 -36.2n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86552
PNG
(Piperidin-1-ium analog, 4)
Show SMILES O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C17H19N3OS2/c21-14(16-6-3-11-22-16)12-19-7-9-20(10-8-19)17-13-4-1-2-5-15(13)23-18-17/h1-6,11,14,21H,7-10,12H2/p+1/t14-/m0/s1
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400 -36.2n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86595
PNG
(ZINC 4842613, 71)
Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H16ClNO2/c1-10(17)8-16-9-13-5-6-14(18-13)11-3-2-4-12(15)7-11/h2-7,10,16-17H,8-9H2,1H3/p+1/t10-/m0/s1
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488 -35.7n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86571
PNG
(Azanium analog, 63)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1
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500 -35.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86555
PNG
(Piperazin-1-ium analog, 7)
Show SMILES Cc1cccc(c1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1
Show InChI InChI=1S/C19H23FN2O/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)14-19(23)17-7-2-3-8-18(17)20/h2-8,13,19,23H,9-12,14H2,1H3/p+1/t19-/m1/s1
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500 -35.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86561
PNG
(Azanium analog, 53)
Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H13Cl2NO2/c14-10-5-9(6-11(15)7-10)13-2-1-12(18-13)8-16-3-4-17/h1-2,5-7,16-17H,3-4,8H2/p+1
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500 -35.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86568
PNG
(Azanium analog, 60)
Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1
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600 -35.2n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86570
PNG
(Azanium analog, 62)
Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1
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600 -35.2n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86566
PNG
(Azanium analog, 58)
Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H13Cl2NO2/c14-9-1-3-12(15)11(7-9)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1
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800 -34.4n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86596
PNG
(ZINC 7538899, 72)
Show SMILES CC[C@@H](CO)[NH2+]Cc1ccc(o1)-c1cccc(Cl)c1C
Show InChI InChI=1S/C16H20ClNO2/c1-3-12(10-19)18-9-13-7-8-16(20-13)14-5-4-6-15(17)11(14)2/h4-8,12,18-19H,3,9-10H2,1-2H3/p+1/t12-/m0/s1
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817 -34.4n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86556
PNG
(Azanium analog, 28)
Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1
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900 -34.2n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86567
PNG
(Azanium analog, 59)
Show SMILES CCC(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H17Cl2NO2/c1-2-11(9-19)18-8-12-4-6-15(20-12)13-7-10(16)3-5-14(13)17/h3-7,11,18-19H,2,8-9H2,1H3/p+1
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1.20E+3 -33.5n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86554
PNG
(Azanium analog, 6)
Show SMILES Fc1ccc(cc1)-c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1
Show InChI InChI=1S/C20H17FN4O/c21-17-6-4-15(5-7-17)19-9-8-18(26-19)14-22-13-16-3-1-10-23-20(16)25-12-2-11-24-25/h1-12,22H,13-14H2/p+1
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1.30E+3 -33.3n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86550
PNG
(Piperidin-1-ium analog, 2)
Show SMILES COC(=O)c1occc1C[NH+]1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O3/c1-24-20(23)19-15(8-11-25-19)13-22-9-6-14(7-10-22)17-12-21-18-5-3-2-4-16(17)18/h2-5,8,11-12,14,21H,6-7,9-10,13H2,1H3/p+1
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1.30E+3 -33.3n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86559
PNG
(Azanium analog, 31)
Show SMILES C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1
Show InChI InChI=1S/C15H25N3OS/c1-15(2,17(3)4)11-16-14(19)18-9-5-7-12(18)13-8-6-10-20-13/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,16,19)/p+1/t12-/m1/s1
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1.60E+3 -32.7n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86551
PNG
(Azanium analog, 3)
Show SMILES CC(CO)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H17Cl2NO3/c1-15(8-19,9-20)18-7-11-3-5-14(21-11)12-6-10(16)2-4-13(12)17/h2-6,18-20H,7-9H2,1H3/p+1
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1.60E+3 -32.7n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86571
PNG
(Azanium analog, 63)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1
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1.70E+3 -32.6n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM86553
PNG
(Piperidin-1-ium analog, 5)
Show SMILES OCCN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-9,23H,10-17H2/p+1
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1.80E+3 -32.5n/an/an/an/an/a7.422



University of California San Francisco



Assay Description
Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...


Nat Chem Biol 7: 769-78 (2011)


Article DOI: 10.1038/nchembio.662
BindingDB Entry DOI: 10.7270/Q2TM78P6
More data for this
Ligand-Target Pair
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