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Patent code US9944618

Compile Data Set for Download or QSAR

Found 940 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM388508
PNG
(US9944618, Compound ID No. 42)
Show SMILES C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1
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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US Patent
0.300n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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=1/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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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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US Patent
1.80n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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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UniChem
US Patent
2n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
PDB

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PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

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
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
PDB

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PC cid
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UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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...


US Patent US9944618 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM388490
PNG
(US9944618, Compound ID No. 24)
Show SMILES CNC[C@@H]([C@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H18Cl2N2O/c1-20-9-13(10-5-6-14(17)15(18)8-10)16(21)11-3-2-4-12(19)7-11/h2-8,13,16,20-21H,9,19H2,1H3/t13-,16-/m1/s1
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US Patent
2.20n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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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UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

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
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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PC cid
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UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research; Virginia Tech Intellectual Properties, Inc.

US Patent


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


US Patent US9944618 (2018)

More data for this
Ligand-Target Pair
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