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Compile Data Set for Download or QSAR

Found 1036 hits with Last Name = 'fauq' and Initial = 'ah'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388508
PNG
(US9944618, Compound ID No. 42)
Show SMILES C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H20N2/c1-19(14-20,12-15-5-4-10-21-13-15)18-9-8-16-6-2-3-7-17(16)11-18/h2-11,13H,12,14,20H2,1H3/t19-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388484
PNG
(US9944618, Compound ID No. 18)
Show SMILES CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N2O2/c1-18-14-23(27-29-18)17-28-25(20-9-4-3-5-10-20)24(16-26-2)22-13-12-19-8-6-7-11-21(19)15-22/h3-15,24-26H,16-17H2,1-2H3/t24-,25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388637
PNG
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388469
PNG
(US9944618, Compound ID No. 3)
Show SMILES CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H24N2O2/c1-24-14-20(19-12-11-16-7-5-6-10-18(16)13-19)22(26-15-21(23)25)17-8-3-2-4-9-17/h2-13,20,22,24H,14-15H2,1H3,(H2,23,25)/t20-,22-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388467
PNG
(US9944618, Compound ID No. 1)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H26N2O2/c1-24-15-21(20-13-12-17-8-6-7-11-19(17)14-20)23(27-16-22(26)25-2)18-9-4-3-5-10-18/h3-14,21,23-24H,15-16H2,1-2H3,(H,25,26)/t21-,23-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388533
PNG
(US9944618, Compound ID No. 67)
Show SMILES CNC[C@@H]([C@H](OCc1nc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-17-26-23(29-27-17)16-28-24(19-9-4-3-5-10-19)22(15-25-2)21-13-12-18-8-6-7-11-20(18)14-21/h3-14,22,24-25H,15-16H2,1-2H3/t22-,24-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388498
PNG
(US9944618, Compound ID No. 32)
Show SMILES CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H25NO2/c1-23-16-21(20-12-11-17-7-5-6-10-19(17)15-20)22(25-14-13-24)18-8-3-2-4-9-18/h2-12,15,21-24H,13-14,16H2,1H3/t21-,22-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388472
PNG
(US9944618, Compound ID No. 6)
Show SMILES CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O2/c1-3-26-23(27)17-28-24(19-10-5-4-6-11-19)22(16-25-2)21-14-13-18-9-7-8-12-20(18)15-21/h4-15,22,24-25H,3,16-17H2,1-2H3,(H,26,27)/t22-,24-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388527
PNG
(US9944618, Compound ID No. 61)
Show SMILES CNC[C@@H]([C@@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H20ClN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388496
PNG
(US9944618, Compound ID No. 30)
Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H28N2O2/c1-26-17-23(22-13-12-19-8-5-6-11-21(19)16-22)25(20-9-3-2-4-10-20)29-18-24(28)27-14-7-15-27/h2-6,8-13,16,23,25-26H,7,14-15,17-18H2,1H3/t23-,25-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388468
PNG
(US9944618, Compound ID No. 2 | US9944618, Compound...)
Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388495
PNG
(US9944618, Compound ID No. 29)
Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388559
PNG
(US9944618, Compound ID No. 93)
Show SMILES CNC[C@H](C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H23NO/c1-22-15-20(14-21(23)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-23H,14-15H2,1H3/t20-,21-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388637
PNG
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388474
PNG
(US9944618, Compound ID No. 8)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H30N2O2/c1-27-17-24(22-15-14-19-8-5-6-11-21(19)16-22)26(20-9-3-2-4-10-20)30-18-25(29)28-23-12-7-13-23/h2-6,8-11,14-16,23-24,26-27H,7,12-13,17-18H2,1H3,(H,28,29)/t24-,26-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388469
PNG
(US9944618, Compound ID No. 3)
Show SMILES CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H24N2O2/c1-24-14-20(19-12-11-16-7-5-6-10-18(16)13-19)22(26-15-21(23)25)17-8-3-2-4-9-17/h2-13,20,22,24H,14-15H2,1H3,(H2,23,25)/t20-,22-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388474
PNG
(US9944618, Compound ID No. 8)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H30N2O2/c1-27-17-24(22-15-14-19-8-5-6-11-21(19)16-22)26(20-9-3-2-4-10-20)30-18-25(29)28-23-12-7-13-23/h2-6,8-11,14-16,23-24,26-27H,7,12-13,17-18H2,1H3,(H,28,29)/t24-,26-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388473
PNG
(US9944618, Compound ID No. 7)
Show SMILES CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H19ClN2O/c1-21-11-17(19(23)16-8-9-22-12-18(16)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,17,19,21,23H,11H2,1H3/t17-,19+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388471
PNG
(US9944618, Compound ID No. 5)
Show SMILES CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21N/c1-21-15-20(13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20-21H,13,15H2,1H3/t20-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388499
PNG
(US9944618, Compound ID No. 33)
Show SMILES CNC[C@@H]([C@H](OCC(=O)N(C)C)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H28N2O2/c1-25-16-22(21-14-13-18-9-7-8-12-20(18)15-21)24(19-10-5-4-6-11-19)28-17-23(27)26(2)3/h4-15,22,24-25H,16-17H2,1-3H3/t22-,24-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388472
PNG
(US9944618, Compound ID No. 6)
Show SMILES CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O2/c1-3-26-23(27)17-28-24(19-10-5-4-6-11-19)22(16-25-2)21-14-13-18-9-7-8-12-20(18)15-21/h4-15,22,24-25H,3,16-17H2,1-2H3,(H,26,27)/t22-,24-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50427698
PNG
(CHEMBL2324206)
Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


J Med Chem 56: 2246-55 (2013)


Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388470
PNG
(US9944618, Compound ID No. 4)
Show SMILES CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO/c1-22-14-20(21(23-15-22)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-21H,14-15H2,1H3/t20-,21-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388476
PNG
(US9944618, Compound ID No. 10)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C16H17Cl2NO/c1-19-10-13(12-7-8-14(17)15(18)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13-,16-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388475
PNG
(US9944618, Compound ID No. 9)
Show SMILES CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H20FN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388480
PNG
(US9944618, Compound ID No. 14)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H28N2O3/c1-25-16-22(21-12-11-18-7-5-6-10-20(18)15-21)24(19-8-3-2-4-9-19)29-17-23(28)26-13-14-27/h2-12,15,22,24-25,27H,13-14,16-17H2,1H3,(H,26,28)/t22-,24-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388478
PNG
(US9944618, Compound ID No. 12)
Show SMILES CNC[C@@H]([C@H](O)c1ccncc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H20N2O/c1-20-13-18(19(22)15-8-10-21-11-9-15)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,18-20,22H,13H2,1H3/t18-,19-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388477
PNG
(US9944618, Compound ID No. 11)
Show SMILES CNC[C@@H]([C@@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H20FN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388492
PNG
(US9944618, Compound ID No. 26)
Show SMILES CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H19ClN2O/c1-21-12-17(19(23)16-8-9-18(20)22-11-16)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,17,19,21,23H,12H2,1H3/t17-,19-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388479
PNG
(US9944618, Compound ID No. 13)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC1CC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H28N2O2/c1-26-16-23(21-12-11-18-7-5-6-10-20(18)15-21)25(19-8-3-2-4-9-19)29-17-24(28)27-22-13-14-22/h2-12,15,22-23,25-26H,13-14,16-17H2,1H3,(H,27,28)/t23-,25-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388481
PNG
(US9944618, Compound ID No. 15)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H20FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12,18,20,22-23H,13H2,1H3/t18-,20-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388484
PNG
(US9944618, Compound ID No. 18)
Show SMILES CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N2O2/c1-18-14-23(27-29-18)17-28-25(20-9-4-3-5-10-20)24(16-26-2)22-13-12-19-8-6-7-11-21(19)15-22/h3-15,24-26H,16-17H2,1-2H3/t24-,25-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388555
PNG
(US9944618, Compound ID No. 89)
Show SMILES CN(C)C[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H27NO2/c1-24(2)17-22(21-13-12-18-8-6-7-11-20(18)16-21)23(26-15-14-25)19-9-4-3-5-10-19/h3-13,16,22-23,25H,14-15,17H2,1-2H3/t22-,23-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388521
PNG
(US9944618, Compound ID No. 55)
Show SMILES CNC[C@@H]([C@H](O)c1cccnc1)c1ccc(OC)c(C)c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-12-9-13(6-7-16(12)21-3)15(11-18-2)17(20)14-5-4-8-19-10-14/h4-10,15,17-18,20H,11H2,1-3H3/t15-,17-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388483
PNG
(US9944618, Compound ID No. 17 | US9944618, Compoun...)
Show SMILES CNCC(Cc1ccccc1F)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H20FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,19,22H,13-14H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388482
PNG
(US9944618, Compound ID No. 16)
Show SMILES CNCC([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
Show InChI InChI=1S/C16H17BrClNO/c1-19-10-13(12-7-8-14(17)15(18)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13?,16-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388497
PNG
(US9944618, Compound ID No. 31)
Show SMILES CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C27H28N2O2/c1-28-18-25(23-15-14-20-9-6-7-12-22(20)17-23)26(21-10-4-3-5-11-21)31-19-24-13-8-16-29(2)27(24)30/h3-17,25-26,28H,18-19H2,1-2H3/t25-,26-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388485
PNG
(US9944618, Compound ID No. 19)
Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CC[C@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H30N2O3/c1-27-16-24(22-12-11-19-7-5-6-10-21(19)15-22)26(20-8-3-2-4-9-20)31-18-25(30)28-14-13-23(29)17-28/h2-12,15,23-24,26-27,29H,13-14,16-18H2,1H3/t23-,24+,26+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388467
PNG
(US9944618, Compound ID No. 1)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H26N2O2/c1-24-15-21(20-13-12-17-8-6-7-11-19(17)14-20)23(27-16-22(26)25-2)18-9-4-3-5-10-18/h3-14,21,23-24H,15-16H2,1-2H3,(H,25,26)/t21-,23-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388486
PNG
(US9944618, Compound ID No. 20)
Show SMILES CNC[C@@H]([C@H](OCc1cc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C25H26N2O2/c1-18-14-23(29-27-18)17-28-25(20-9-4-3-5-10-20)24(16-26-2)22-13-12-19-8-6-7-11-21(19)15-22/h3-15,24-26H,16-17H2,1-2H3/t24-,25-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388487
PNG
(US9944618, Compound ID No. 21)
Show SMILES CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
Show InChI InChI=1S/C16H17BrClNO/c1-19-10-13(12-7-8-14(17)15(18)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13-,16+/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388489
PNG
(US9944618, Compound ID No. 23)
Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H30N2O3/c1-27-18-24(23-12-11-20-7-5-6-10-22(20)17-23)26(21-8-3-2-4-9-21)31-19-25(29)28-13-15-30-16-14-28/h2-12,17,24,26-27H,13-16,18-19H2,1H3/t24-,26-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388488
PNG
(US9944618, Compound ID No. 22)
Show SMILES CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-17-26-23(27-29-17)16-28-24(19-9-4-3-5-10-19)22(15-25-2)21-13-12-18-8-6-7-11-20(18)14-21/h3-14,22,24-25H,15-16H2,1-2H3/t22-,24-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388488
PNG
(US9944618, Compound ID No. 22)
Show SMILES CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-17-26-23(27-29-17)16-28-24(19-9-4-3-5-10-19)22(15-25-2)21-13-12-18-8-6-7-11-20(18)14-21/h3-14,22,24-25H,15-16H2,1-2H3/t22-,24-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388541
PNG
(US9944618, Compound ID No. 75)
Show SMILES CNCC(Cc1ccccc1)c1ccc2cccnc2c1
Show InChI InChI=1S/C19H20N2/c1-20-14-18(12-15-6-3-2-4-7-15)17-10-9-16-8-5-11-21-19(16)13-17/h2-11,13,18,20H,12,14H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388492
PNG
(US9944618, Compound ID No. 26)
Show SMILES CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H19ClN2O/c1-21-12-17(19(23)16-8-9-18(20)22-11-16)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,17,19,21,23H,12H2,1H3/t17-,19-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388491
PNG
(US9944618, Compound ID No. 25)
Show SMILES CNCC([C@H](CO)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H23NO/c1-22-14-20(21(15-23)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-23H,14-15H2,1H3/t20?,21-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...


Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
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