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Compile Data Set for Download or QSAR

Found 47 hits of ph data 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
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
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))
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
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))
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
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
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))
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
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))
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))
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))
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))
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))
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
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))
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
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
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
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
Dopamine receptor


(Homo sapiens (Human))
BDBM86557
PNG
(Azanium analog, 29)
Show SMILES C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccco1
Show InChI InChI=1S/C15H16Cl2N2O2/c1-19(2)13(14-4-3-5-21-14)9-18-15(20)10-6-11(16)8-12(17)7-10/h3-8,13H,9H2,1-2H3,(H,18,20)/p+1/t13-/m1/s1
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2.20E+3 -32.0n/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))
BDBM86594
PNG
(ZINC 4868730, 70)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]C2CC2)o1
Show InChI InChI=1S/C14H13Cl2NO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2/p+1
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2.71E+3 -31.5n/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))
BDBM86592
PNG
(ZINC 4999756, 68)
Show SMILES Cc1ccc(cc1Cl)-c1ccc(C[NH2+]C(C)(C)CO)o1
Show InChI InChI=1S/C16H20ClNO2/c1-11-4-5-12(8-14(11)17)15-7-6-13(20-15)9-18-16(2,3)10-19/h4-8,18-19H,9-10H2,1-3H3/p+1
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2.74E+3 -31.4n/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))
BDBM86560
PNG
(Azanium analog, 32)
Show SMILES CC[NH+](CCC(=O)N1CCc2ccccc12)CC1CCCO1
Show InChI InChI=1S/C18H26N2O2/c1-2-19(14-16-7-5-13-22-16)11-10-18(21)20-12-9-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3/p+1
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3.00E+3 -31.2n/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))
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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3.10E+3 -31.1n/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
Dopamine receptor


(Homo sapiens (Human))
BDBM86590
PNG
(ZINC 6743145, 66)
Show SMILES CC(C)(C)[NH2+]Cc1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C15H18ClNO/c1-15(2,3)17-10-11-8-9-14(18-11)12-6-4-5-7-13(12)16/h4-9,17H,10H2,1-3H3/p+1
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5.46E+3 -29.7n/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))
BDBM86588
PNG
(ZINC 4942963, 64)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H17ClFNO2/c1-15(2,9-19)18-8-11-4-6-14(20-11)10-3-5-13(17)12(16)7-10/h3-7,18-19H,8-9H2,1-2H3/p+1
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6.81E+3 -29.2n/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))
BDBM86580
PNG
(ZINC 48057418, 45)
Show SMILES C[NH+](CCCOc1ccccc1)CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-21(13-7-15-24-18-9-3-2-4-10-18)16-20(23)22-14-12-17-8-5-6-11-19(17)22/h2-6,8-11H,7,12-16H2,1H3/p+1
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7.21E+3 -29.1n/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
Dopamine receptor


(Homo sapiens (Human))
BDBM86583
PNG
(ZINC 49944321, 48)
Show SMILES C[NH+](C)[C@H](CNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c1ccco1
Show InChI InChI=1S/C15H16N4O6/c1-17(2)13(14-4-3-5-25-14)9-16-15(20)10-6-11(18(21)22)8-12(7-10)19(23)24/h3-8,13H,9H2,1-2H3,(H,16,20)/p+1/t13-/m1/s1
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7.77E+3 -28.9n/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))
BDBM86589
PNG
(ZINC 4942833, 65)
Show SMILES CC(C)(C)[NH2+]Cc1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C15H19NO/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3/p+1
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8.67E+3 -28.6n/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))
BDBM86584
PNG
(ZINC 51423503, 49)
Show SMILES C[NH+](CCOc1cccc(F)c1)CC(O)c1c(F)cccc1F
Show InChI InChI=1S/C17H18F3NO2/c1-21(8-9-23-13-5-2-4-12(18)10-13)11-16(22)17-14(19)6-3-7-15(17)20/h2-7,10,16,22H,8-9,11H2,1H3/p+1
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8.74E+3 -28.6n/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))
BDBM86593
PNG
(ZINC 10436232, 69)
Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C14H17NO/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3/p+1
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8.89E+3 -28.5n/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))
BDBM86575
PNG
(ZINC 39217391, 11)
Show SMILES C[C@H]1Cc2ccccc2N1C(=O)CC[NH+]1CCC(C)CC1
Show InChI InChI=1S/C18H26N2O/c1-14-7-10-19(11-8-14)12-9-18(21)20-15(2)13-16-5-3-4-6-17(16)20/h3-6,14-15H,7-13H2,1-2H3/p+1/t15-/m0/s1
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9.28E+3 -28.4n/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))
BDBM86578
PNG
(ZINC 42228310, 26)
Show SMILES C([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1c[nH]nc1-c1ccccc1
Show InChI InChI=1S/C21H21N5/c1-2-4-19(5-3-1)21-20(14-24-25-21)13-23-12-17-6-8-18(9-7-17)15-26-11-10-22-16-26/h1-11,14,16,23H,12-13,15H2,(H,24,25)/p+1
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9.31E+3 -28.4n/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))
BDBM86573
PNG
(ZINC 19294224, 9)
Show SMILES O[C@@H](C[NH+]1CCC(CC1)Oc1cccc(F)c1)c1cccs1
Show InChI InChI=1S/C17H20FNO2S/c18-13-3-1-4-15(11-13)21-14-6-8-19(9-7-14)12-16(20)17-5-2-10-22-17/h1-5,10-11,14,16,20H,6-9,12H2/p+1/t16-/m0/s1
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9.46E+3 -28.4n/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))
BDBM86591
PNG
(ZINC 529108, 67)
Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-15(2,11-17)16-10-13-8-9-14(18-13)12-6-4-3-5-7-12/h3-9,16-17H,10-11H2,1-2H3/p+1
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9.58E+3 -28.4n/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))
BDBM86576
PNG
(ZINC 17173082, 12)
Show SMILES CCSc1nnc2N(CCCn12)C(=O)CN1CCOCC1
Show InChI InChI=1S/C13H21N5O2S/c1-2-21-13-15-14-12-17(4-3-5-18(12)13)11(19)10-16-6-8-20-9-7-16/h2-10H2,1H3
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9.83E+3 -28.3n/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))
BDBM86587
PNG
(ZINC 41903371, 52)
Show SMILES C[NH+](C)C(CNC(=O)c1cn2c(C)cccc2[nH+]1)c1ccco1
Show InChI InChI=1S/C17H20N4O2/c1-12-6-4-8-16-19-13(11-21(12)16)17(22)18-10-14(20(2)3)15-7-5-9-23-15/h4-9,11,14H,10H2,1-3H3,(H,18,22)/p+2
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1.00E+4 -28.3n/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))
BDBM86586
PNG
(ZINC 32799890, 51)
Show SMILES CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCNC2=O)C1
Show InChI InChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)/p+1/t10-/m1/s1
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1.00E+4 -28.3n/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))
BDBM86585
PNG
(ZINC 46272073, 50)
Show SMILES CC(CNC(=O)c1cn2c(C)cccc2[nH+]1)[NH+](C)C
Show InChI InChI=1S/C14H20N4O/c1-10-6-5-7-13-16-12(9-18(10)13)14(19)15-8-11(2)17(3)4/h5-7,9,11H,8H2,1-4H3,(H,15,19)/p+2
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1.00E+4 -28.3n/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))
BDBM86582
PNG
(ZINC 29218552, 47)
Show SMILES O=C(N1CCN(CCc2ccccc2)CC1)C(=C\c1ccco1)\C#N
Show InChI InChI=1S/C20H21N3O2/c21-16-18(15-19-7-4-14-25-19)20(24)23-12-10-22(11-13-23)9-8-17-5-2-1-3-6-17/h1-7,14-15H,8-13H2/b18-15+
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1.00E+4 -28.3n/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))
BDBM86581
PNG
(ZINC 42157198, 46)
Show SMILES CC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl
Show InChI InChI=1S/C14H18ClN3O2/c1-2-17(9-11-5-3-4-6-12(11)15)10-13(19)18-8-7-16-14(18)20/h3-6H,2,7-10H2,1H3,(H,16,20)/p+1
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1.00E+4 -28.3n/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))
BDBM86579
PNG
(ZINC 42123507, 27)
Show SMILES C[C@H](C1CC1)[NH+](CCC(=O)N1CCc2ccccc12)C1CC1
Show InChI InChI=1S/C19H26N2O/c1-14(15-6-7-15)20(17-8-9-17)13-11-19(22)21-12-10-16-4-2-3-5-18(16)21/h2-5,14-15,17H,6-13H2,1H3/p+1/t14-/m1/s1
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>1.00E+4>-28.3n/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))
BDBM86577
PNG
(ZINC 27406499, 25)
Show SMILES C[NH+](C[C@H](O)Cc1ccccc1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C18H20N2OS/c1-20(12-15(21)11-14-7-3-2-4-8-14)13-18-19-16-9-5-6-10-17(16)22-18/h2-10,15,21H,11-13H2,1H3/p+1/t15-/m1/s1
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UniChem
Article
PubMed
>1.00E+4>-28.3n/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))
BDBM86572
PNG
(ZINC 118327, 8)
Show SMILES Oc1ccc2c3CCCc3c(=O)oc2c1C[NH+]1CCCC1
Show InChI InChI=1S/C17H19NO3/c19-15-7-6-12-11-4-3-5-13(11)17(20)21-16(12)14(15)10-18-8-1-2-9-18/h6-7,19H,1-5,8-10H2/p+1
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Article
PubMed
>1.00E+4>-28.3n/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))
BDBM86574
PNG
(ZINC 30900826, 10)
Show SMILES C([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H20N6/c1-2-4-19(13-26-16-23-14-24-26)18(3-1)12-22-11-17-5-7-20(8-6-17)25-10-9-21-15-25/h1-10,14-16,22H,11-13H2/p+1
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UniChem
Article
PubMed
1.00E+4 -28.3n/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