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PubMed code 17095215

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198226
PNG
(2-((2-iodophenoxy)(phenyl)methyl)morpholine | CHEM...)
Show SMILES Ic1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2
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2.47n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
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14.2n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198233
PNG
(2-((3-iodophenyl)(2-methoxyphenoxy)methyl)morpholi...)
Show SMILES COc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H20INO3/c1-21-15-7-2-3-8-16(15)23-18(17-12-20-9-10-22-17)13-5-4-6-14(19)11-13/h2-8,11,17-18,20H,9-10,12H2,1H3
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15.4n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198232
PNG
(2-((3-iodophenyl)(o-tolyloxy)methyl)morpholine | C...)
Show SMILES Cc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H20INO2/c1-13-5-2-3-8-16(13)22-18(17-12-20-9-10-21-17)14-6-4-7-15(19)11-14/h2-8,11,17-18,20H,9-10,12H2,1H3
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27.6n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198227
PNG
(2-((2-ethoxyphenoxy)(3-iodophenyl)methyl)morpholin...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-8-3-4-9-17(16)24-19(18-13-21-10-11-23-18)14-6-5-7-15(20)12-14/h3-9,12,18-19,21H,2,10-11,13H2,1H3
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28.5n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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40.4n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
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70.4n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198234
PNG
(2-((5-iodothiophen-2-yl)(o-tolyloxy)methyl)morphol...)
Show SMILES Cc1ccccc1OC(C1CNCCO1)c1ccc(I)s1
Show InChI InChI=1S/C16H18INO2S/c1-11-4-2-3-5-12(11)20-16(13-10-18-8-9-19-13)14-6-7-15(17)21-14/h2-7,13,16,18H,8-10H2,1H3
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71.9n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
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73.8n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198228
PNG
(2-((5-iodothiophen-2-yl)(2-methoxyphenoxy)methyl)m...)
Show SMILES COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1
Show InChI InChI=1S/C16H18INO3S/c1-19-11-4-2-3-5-12(11)21-16(13-10-18-8-9-20-13)14-6-7-15(17)22-14/h2-7,13,16,18H,8-10H2,1H3
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79.6n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50198229
PNG
(2-((3-iodophenyl)(2-(trifluoromethyl)phenoxy)methy...)
Show SMILES FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H17F3INO2/c19-18(20,21)14-6-1-2-7-15(14)25-17(16-11-23-8-9-24-16)12-4-3-5-13(22)10-12/h1-7,10,16-17,23H,8-9,11H2
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101n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198228
PNG
(2-((5-iodothiophen-2-yl)(2-methoxyphenoxy)methyl)m...)
Show SMILES COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1
Show InChI InChI=1S/C16H18INO3S/c1-19-11-4-2-3-5-12(11)21-16(13-10-18-8-9-20-13)14-6-7-15(17)22-14/h2-7,13,16,18H,8-10H2,1H3
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141n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198234
PNG
(2-((5-iodothiophen-2-yl)(o-tolyloxy)methyl)morphol...)
Show SMILES Cc1ccccc1OC(C1CNCCO1)c1ccc(I)s1
Show InChI InChI=1S/C16H18INO2S/c1-11-4-2-3-5-12(11)20-16(13-10-18-8-9-19-13)14-6-7-15(17)21-14/h2-7,13,16,18H,8-10H2,1H3
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186n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198228
PNG
(2-((5-iodothiophen-2-yl)(2-methoxyphenoxy)methyl)m...)
Show SMILES COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1
Show InChI InChI=1S/C16H18INO3S/c1-19-11-4-2-3-5-12(11)21-16(13-10-18-8-9-20-13)14-6-7-15(17)22-14/h2-7,13,16,18H,8-10H2,1H3
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210n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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228n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198231
PNG
(2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...)
Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2
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252n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
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351n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198226
PNG
(2-((2-iodophenoxy)(phenyl)methyl)morpholine | CHEM...)
Show SMILES Ic1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2
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410n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198229
PNG
(2-((3-iodophenyl)(2-(trifluoromethyl)phenoxy)methy...)
Show SMILES FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H17F3INO2/c19-18(20,21)14-6-1-2-7-15(14)25-17(16-11-23-8-9-24-16)12-4-3-5-13(22)10-12/h1-7,10,16-17,23H,8-9,11H2
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486n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198225
PNG
(2-((2-methoxybenzyloxy)(3-iodophenyl)methyl)morpho...)
Show SMILES COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C19H22INO3/c1-22-17-8-3-2-5-15(17)13-24-19(18-12-21-9-10-23-18)14-6-4-7-16(20)11-14/h2-8,11,18-19,21H,9-10,12-13H2,1H3
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716n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198232
PNG
(2-((3-iodophenyl)(o-tolyloxy)methyl)morpholine | C...)
Show SMILES Cc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H20INO2/c1-13-5-2-3-8-16(13)22-18(17-12-20-9-10-21-17)14-6-4-7-15(19)11-14/h2-8,11,17-18,20H,9-10,12H2,1H3
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740n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198229
PNG
(2-((3-iodophenyl)(2-(trifluoromethyl)phenoxy)methy...)
Show SMILES FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H17F3INO2/c19-18(20,21)14-6-1-2-7-15(14)25-17(16-11-23-8-9-24-16)12-4-3-5-13(22)10-12/h1-7,10,16-17,23H,8-9,11H2
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PubMed
1.87E+3n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198227
PNG
(2-((2-ethoxyphenoxy)(3-iodophenyl)methyl)morpholin...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-8-3-4-9-17(16)24-19(18-13-21-10-11-23-18)14-6-5-7-15(20)12-14/h3-9,12,18-19,21H,2,10-11,13H2,1H3
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3.14E+3n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50198233
PNG
(2-((3-iodophenyl)(2-methoxyphenoxy)methyl)morpholi...)
Show SMILES COc1ccccc1OC(C1CNCCO1)c1cccc(I)c1
Show InChI InChI=1S/C18H20INO3/c1-21-15-7-2-3-8-16(15)23-18(17-12-20-9-10-22-17)13-5-4-6-14(19)11-13/h2-8,11,17-18,20H,9-10,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Degenerative Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR from DAT in rat brain membranes


Bioorg Med Chem Lett 17: 533-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.018
BindingDB Entry DOI: 10.7270/Q2WS8SX8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%