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Compile Data Set for Download or QSAR

Found 8632 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter'   
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 Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22170
PNG
((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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0.75 -48.4n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22172
PNG
((2S)-1-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m0/s1
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2.30 -45.8n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22180
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-2-...)
Show SMILES F[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H31F3N2O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21H2/t27-/m0/s1
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2.70 -45.5n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22169
PNG
((1R)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1
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3 -45.2n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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3.70 -44.7n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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3.70 -44.7n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22186
PNG
(4-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...)
Show SMILES CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34F2N2O2/c1-29(34,25-5-3-2-4-6-25)15-16-32-17-19-33(20-18-32)21-22-35-28(23-7-11-26(30)12-8-23)24-9-13-27(31)14-10-24/h2-14,28,34H,15-22H2,1H3
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4 -44.6n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22168
PNG
((1S)-3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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4.40 -44.3n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22187
PNG
(4-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}-2-p...)
Show SMILES CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H36N2O2/c1-29(32,27-15-9-4-10-16-27)17-18-30-19-21-31(22-20-30)23-24-33-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28,32H,17-24H2,1H3
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7 -43.3n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22171
PNG
((2R)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1
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12 -42.0n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22175
PNG
(1-[(2R)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)m...)
Show SMILES C[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34F2N2O/c1-23(21-24-5-3-2-4-6-24)22-33-17-15-32(16-18-33)19-20-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,23,29H,15-22H2,1H3/t23-/m1/s1
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17 -41.2n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22174
PNG
(1-[(2S)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)m...)
Show SMILES C[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34F2N2O/c1-23(21-24-5-3-2-4-6-24)22-33-17-15-32(16-18-33)19-20-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,23,29H,15-22H2,1H3/t23-/m0/s1
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17 -41.2n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22184
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=C)c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N2O/c1-23(24-5-3-2-4-6-24)15-16-32-17-19-33(20-18-32)21-22-34-29(25-7-11-27(30)12-8-25)26-9-13-28(31)14-10-26/h2-14,29H,1,15-22H2
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18 -41.1n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22177
PNG
((2R)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES N[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21,31H2/t27-/m1/s1
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20 -40.8n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22181
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2R)-2-...)
Show SMILES F[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H31F3N2O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21H2/t27-/m1/s1
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22 -40.6n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22173
PNG
((2R)-1-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl...)
Show SMILES O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O2/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2/t27-/m1/s1
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25 -40.3n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22179
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2R)-2-...)
Show SMILES CO[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34F2N2O2/c1-34-28(21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28-29H,15-22H2,1H3/t28-/m1/s1
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27 -40.2n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22178
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-2-...)
Show SMILES CO[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H34F2N2O2/c1-34-28(21-23-5-3-2-4-6-23)22-33-17-15-32(16-18-33)19-20-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-14,28-29H,15-22H2,1H3/t28-/m0/s1
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29 -40.0n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22185
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylbut-3-en-1...)
Show SMILES C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-25(26-11-5-2-6-12-26)17-18-30-19-21-31(22-20-30)23-24-32-29(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,29H,1,17-24H2
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30 -39.9n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22176
PNG
((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES N[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-32-14-16-33(17-15-32)21-27(31)20-22-4-2-1-3-5-22/h1-13,27-28H,14-21,31H2/t27-/m0/s1
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39 -39.3n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22182
PNG
(3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazi...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,28H,14-21H2
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48 -38.8n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22183
PNG
(3-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}-1-p...)
Show SMILES O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H32N2O2/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
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210 -35.4n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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PubMed
371 -36.3n/an/a 303n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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2.48E+3 -31.7n/an/a 3.56E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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PubMed
5.34E+3 -29.8n/an/a 5.34E+3n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30131
PNG
(tetrahydrofuranyl ethylamine, 14)
Show SMILES COc1ccc(F)cc1CCC1CCC(CCN)O1
Show InChI InChI=1S/C15H22FNO2/c1-18-15-7-3-12(16)10-11(15)2-4-13-5-6-14(19-13)8-9-17/h3,7,10,13-14H,2,4-6,8-9,17H2,1H3
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PubMed
6.50E+3 -29.3n/an/a 2.79E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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PubMed
6.67E+3 -29.2n/an/a 1.95E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30132
PNG
(CHEMBL450907 | tetrahydrofuranyl ethylamine, 15)
Show SMILES COc1ccc(F)cc1CCCC1CCC(CCN)O1
Show InChI InChI=1S/C16H24FNO2/c1-19-16-8-5-13(17)11-12(16)3-2-4-14-6-7-15(20-14)9-10-18/h5,8,11,14-15H,2-4,6-7,9-10,18H2,1H3
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PubMed
7.31E+3 -29.0n/an/a 1.70E+4n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30133
PNG
(tetrahydrofuranyl ethylamine, 24)
Show SMILES CNCCC1CCC(CCc2cc(F)ccc2OC)O1
Show InChI InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
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6.70E+4 -23.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30127
PNG
(CHEMBL480988 | phthalazinone, 20)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12
Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
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>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22406
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H21Cl3N2S/c1-28-16-7-9-20(28)22(17(11-16)13-2-5-15(24)6-3-13)23-27-12-21(29-23)14-4-8-18(25)19(26)10-14/h2-6,8,10,12,16-17,20,22H,7,9,11H2,1H3/t16-,17+,20+,22-/m0/s1
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n/an/a 440n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22407
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C25H27ClN2O2S/c1-28-18-9-10-20(28)24(19(13-18)15-4-7-17(26)8-5-15)25-27-14-23(31-25)16-6-11-21(29-2)22(12-16)30-3/h4-8,11-12,14,18-20,24H,9-10,13H2,1-3H3/t18-,19+,20+,24-/m0/s1
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n/an/a 65n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22408
PNG
(5-(4-fluorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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n/an/a 12n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22409
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(27(19)2)23(20)24-26-14-22(28-24)17-7-9-18(25)10-8-17/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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n/an/a 22n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22410
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-m...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C24H25BrN2S/c1-15-6-8-16(9-7-15)20-13-19-10-11-21(27(19)2)23(20)24-26-14-22(28-24)17-4-3-5-18(25)12-17/h3-9,12,14,19-21,23H,10-11,13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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n/an/a 10n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22411
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-3-5-16(6-4-15)20-13-19-11-12-21(26(19)2)23(20)24-25-14-22(30-24)17-7-9-18(10-8-17)27(28)29/h3-10,14,19-21,23H,11-13H2,1-2H3/t19-,20+,21+,23-/m0/s1
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n/an/a 41n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22412
PNG
(2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H25N3O2S/c1-15-6-8-16(9-7-15)20-13-18-10-11-21(26(18)2)23(20)24-25-14-22(30-24)17-4-3-5-19(12-17)27(28)29/h3-9,12,14,18,20-21,23H,10-11,13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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n/an/a 4n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22413
PNG
(5-(4-methoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C25H28N2OS/c1-16-4-6-17(7-5-16)21-14-19-10-13-22(27(19)2)24(21)25-26-15-23(29-25)18-8-11-20(28-3)12-9-18/h4-9,11-12,15,19,21-22,24H,10,13-14H2,1-3H3/t19-,21+,22+,24-/m0/s1
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n/an/a 15n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22414
PNG
(5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
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n/an/a 102n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22415
PNG
(5-(3,4-dimethoxyphenyl)-2-[(1R,2S,3S,5S)-8-methyl-...)
Show SMILES COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C26H30N2O2S/c1-16-5-7-17(8-6-16)20-14-19-10-11-21(28(19)2)25(20)26-27-15-24(31-26)18-9-12-22(29-3)23(13-18)30-4/h5-9,12-13,15,19-21,25H,10-11,14H2,1-4H3/t19-,20+,21+,25-/m0/s1
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n/an/a 83n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22398
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 5.70n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22396
PNG
((1R,2S,3S,5S)-3-(4-chlorophenyl)-2-[5-(4-fluorophe...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
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n/an/a 23n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22405
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C24H25ClN2OS/c1-27-18-9-12-21(27)23(20(13-18)15-3-7-17(25)8-4-15)24-26-14-22(29-24)16-5-10-19(28-2)11-6-16/h3-8,10-11,14,18,20-21,23H,9,12-13H2,1-2H3/t18-,20+,21+,23-/m0/s1
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n/an/a 14n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22404
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-17-9-10-20(26)22(19(12-17)14-5-7-16(24)8-6-14)23-25-13-21(30-23)15-3-2-4-18(11-15)27(28)29/h2-8,11,13,17,19-20,22H,9-10,12H2,1H3/t17-,19+,20+,22-/m0/s1
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n/an/a 5n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22403
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22ClN3O2S/c1-26-18-10-11-20(26)22(19(12-18)14-2-6-16(24)7-3-14)23-25-13-21(30-23)15-4-8-17(9-5-15)27(28)29/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 20n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22402
PNG
(5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-9-10-20(27)22(19(12-18)14-5-7-17(25)8-6-14)23-26-13-21(28-23)15-3-2-4-16(24)11-15/h2-8,11,13,18-20,22H,9-10,12H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 18n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22399
PNG
(2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-aza...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22ClFN2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 6n/an/an/an/a7.44



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Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22400
PNG
(5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophe...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N2S/c1-27-18-10-11-20(27)22(19(12-18)14-2-6-16(24)7-3-14)23-26-13-21(28-23)15-4-8-17(25)9-5-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 20n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM22401
PNG
(5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophen...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrClN2S/c1-27-18-10-11-20(27)22(19(12-18)14-4-8-17(25)9-5-14)23-26-13-21(28-23)15-2-6-16(24)7-3-15/h2-9,13,18-20,22H,10-12H2,1H3/t18-,19+,20+,22-/m0/s1
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n/an/a 107n/an/an/an/a7.44



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
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