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13 similar compounds to monomer 50243158

Compile data set for download or QSAR
Wt: 295.4
BDBM50243206
Wt: 295.4
BDBM50243207
Wt: 283.3
BDBM50243155
Wt: 253.3
BDBM50243152
Wt: 287.7
BDBM50243154
Wt: 253.3
BDBM50243156
Wt: 267.3
BDBM50243157
Wt: 267.3
BDBM50243205
Wt: 253.3
BDBM50243209
Wt: 267.3
BDBM50243210
Wt: 273.7
BDBM50243103
Wt: 225.2
BDBM50243105
Wt: 239.3
BDBM50243106

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50243206,50243207,50243155,50243152,50243154,50243156,50243157,50243205,50243209,50243210,50243103,50243105,50243106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243105
PNG
(CHEMBL530334 | cis-3-phenoxy-2,3-dihydro-1H-inden-...)
Show SMILES N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243106
PNG
(CHEMBL445185 | cis-N-methyl-3-phenoxy-2,3-dihydro-...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243209
PNG
(CHEMBL486044 | trans-N-methyl-3-(o-tolyloxy)-2,3-d...)
Show SMILES CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243207
PNG
(CHEMBL486237 | cis-N-isopropyl-N-methyl-3-(o-tolyl...)
Show SMILES CC(C)N(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-14(2)21(4)18-13-20(17-11-7-6-10-16(17)18)22-19-12-8-5-9-15(19)3/h5-12,14,18,20H,13H2,1-4H3/t18-,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243206
PNG
(CHEMBL486236 | cis-N,N-diethyl-3-(o-tolyloxy)-2,3-...)
Show SMILES CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-4-21(5-2)18-14-20(17-12-8-7-11-16(17)18)22-19-13-9-6-10-15(19)3/h6-13,18,20H,4-5,14H2,1-3H3/t18-,20+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243205
PNG
(CHEMBL486235 | cis-N-ethyl-3-(o-tolyloxy)-2,3-dihy...)
Show SMILES CCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-3-19-16-12-18(15-10-6-5-9-14(15)16)20-17-11-7-4-8-13(17)2/h4-11,16,18-19H,3,12H2,1-2H3/t16-,18+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243157
PNG
(CHEMBL521392 | cis-N,N-dimethyl-3-(o-tolyloxy)-2,3...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243156
PNG
(CHEMBL446570 | cis-N-methyl-3-(o-tolyloxy)-2,3-dih...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243155
PNG
(CHEMBL487691 | cis-3-(4-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccc(O[C@H]2C[C@@H](N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C18H21NO2/c1-19(2)17-12-18(16-7-5-4-6-15(16)17)21-14-10-8-13(20-3)9-11-14/h4-11,17-18H,12H2,1-3H3/t17-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243103
PNG
(CHEMBL488222 | cis-3-(4-chlorophenoxy)-N-methyl-2,...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C16H16ClNO/c1-18-15-10-16(14-5-3-2-4-13(14)15)19-12-8-6-11(17)7-9-12/h2-9,15-16,18H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243152
PNG
(CHEMBL520735 | cis-N,N-dimethyl-3-phenoxy-2,3-dihy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-18(2)16-12-17(15-11-7-6-10-14(15)16)19-13-8-4-3-5-9-13/h3-11,16-17H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243106
PNG
(CHEMBL445185 | cis-N-methyl-3-phenoxy-2,3-dihydro-...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243105
PNG
(CHEMBL530334 | cis-3-phenoxy-2,3-dihydro-1H-inden-...)
Show SMILES N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243210
PNG
(CHEMBL520201 | trans-N,N-dimethyl-3-(o-tolyloxy)-2...)
Show SMILES CN(C)[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243209
PNG
(CHEMBL486044 | trans-N-methyl-3-(o-tolyloxy)-2,3-d...)
Show SMILES CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243207
PNG
(CHEMBL486237 | cis-N-isopropyl-N-methyl-3-(o-tolyl...)
Show SMILES CC(C)N(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-14(2)21(4)18-13-20(17-11-7-6-10-16(17)18)22-19-12-8-5-9-15(19)3/h5-12,14,18,20H,13H2,1-4H3/t18-,20+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243206
PNG
(CHEMBL486236 | cis-N,N-diethyl-3-(o-tolyloxy)-2,3-...)
Show SMILES CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-4-21(5-2)18-14-20(17-12-8-7-11-16(17)18)22-19-13-9-6-10-15(19)3/h6-13,18,20H,4-5,14H2,1-3H3/t18-,20+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243205
PNG
(CHEMBL486235 | cis-N-ethyl-3-(o-tolyloxy)-2,3-dihy...)
Show SMILES CCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-3-19-16-12-18(15-10-6-5-9-14(15)16)20-17-11-7-4-8-13(17)2/h4-11,16,18-19H,3,12H2,1-2H3/t16-,18+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243157
PNG
(CHEMBL521392 | cis-N,N-dimethyl-3-(o-tolyloxy)-2,3...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243156
PNG
(CHEMBL446570 | cis-N-methyl-3-(o-tolyloxy)-2,3-dih...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243155
PNG
(CHEMBL487691 | cis-3-(4-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccc(O[C@H]2C[C@@H](N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C18H21NO2/c1-19(2)17-12-18(16-7-5-4-6-15(16)17)21-14-10-8-13(20-3)9-11-14/h4-11,17-18H,12H2,1-3H3/t17-,18+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243103
PNG
(CHEMBL488222 | cis-3-(4-chlorophenoxy)-N-methyl-2,...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C16H16ClNO/c1-18-15-10-16(14-5-3-2-4-13(14)15)19-12-8-6-11(17)7-9-12/h2-9,15-16,18H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243152
PNG
(CHEMBL520735 | cis-N,N-dimethyl-3-phenoxy-2,3-dihy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-18(2)16-12-17(15-11-7-6-10-14(15)16)19-13-8-4-3-5-9-13/h3-11,16-17H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243106
PNG
(CHEMBL445185 | cis-N-methyl-3-phenoxy-2,3-dihydro-...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H17NO/c1-17-15-11-16(14-10-6-5-9-13(14)15)18-12-7-3-2-4-8-12/h2-10,15-17H,11H2,1H3/t15-,16+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243105
PNG
(CHEMBL530334 | cis-3-phenoxy-2,3-dihydro-1H-inden-...)
Show SMILES N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243210
PNG
(CHEMBL520201 | trans-N,N-dimethyl-3-(o-tolyloxy)-2...)
Show SMILES CN(C)[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243209
PNG
(CHEMBL486044 | trans-N-methyl-3-(o-tolyloxy)-2,3-d...)
Show SMILES CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243207
PNG
(CHEMBL486237 | cis-N-isopropyl-N-methyl-3-(o-tolyl...)
Show SMILES CC(C)N(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-14(2)21(4)18-13-20(17-11-7-6-10-16(17)18)22-19-12-8-5-9-15(19)3/h5-12,14,18,20H,13H2,1-4H3/t18-,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243206
PNG
(CHEMBL486236 | cis-N,N-diethyl-3-(o-tolyloxy)-2,3-...)
Show SMILES CCN(CC)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C20H25NO/c1-4-21(5-2)18-14-20(17-12-8-7-11-16(17)18)22-19-13-9-6-10-15(19)3/h6-13,18,20H,4-5,14H2,1-3H3/t18-,20+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243205
PNG
(CHEMBL486235 | cis-N-ethyl-3-(o-tolyloxy)-2,3-dihy...)
Show SMILES CCN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-3-19-16-12-18(15-10-6-5-9-14(15)16)20-17-11-7-4-8-13(17)2/h4-11,16,18-19H,3,12H2,1-2H3/t16-,18+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243157
PNG
(CHEMBL521392 | cis-N,N-dimethyl-3-(o-tolyloxy)-2,3...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243156
PNG
(CHEMBL446570 | cis-N-methyl-3-(o-tolyloxy)-2,3-dih...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-12-7-3-6-10-16(12)19-17-11-15(18-2)13-8-4-5-9-14(13)17/h3-10,15,17-18H,11H2,1-2H3/t15-,17+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243155
PNG
(CHEMBL487691 | cis-3-(4-methoxyphenoxy)-N,N-dimeth...)
Show SMILES COc1ccc(O[C@H]2C[C@@H](N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C18H21NO2/c1-19(2)17-12-18(16-7-5-4-6-15(16)17)21-14-10-8-13(20-3)9-11-14/h4-11,17-18H,12H2,1-3H3/t17-,18+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243154
PNG
(CHEMBL487690 | cis-3-(4-chlorophenoxy)-N,N-dimethy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C17H18ClNO/c1-19(2)16-11-17(15-6-4-3-5-14(15)16)20-13-9-7-12(18)8-10-13/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243103
PNG
(CHEMBL488222 | cis-3-(4-chlorophenoxy)-N-methyl-2,...)
Show SMILES CN[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C16H16ClNO/c1-18-15-10-16(14-5-3-2-4-13(14)15)19-12-8-6-11(17)7-9-12/h2-9,15-16,18H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243152
PNG
(CHEMBL520735 | cis-N,N-dimethyl-3-phenoxy-2,3-dihy...)
Show SMILES CN(C)[C@@H]1C[C@H](Oc2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H19NO/c1-18(2)16-12-17(15-11-7-6-10-14(15)16)19-13-8-4-3-5-9-13/h3-11,16-17H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243210
PNG
(CHEMBL520201 | trans-N,N-dimethyl-3-(o-tolyloxy)-2...)
Show SMILES CN(C)[C@H]1C[C@H](Oc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C18H21NO/c1-13-8-4-7-11-17(13)20-18-12-16(19(2)3)14-9-5-6-10-15(14)18/h4-11,16,18H,12H2,1-3H3/t16-,18-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair