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Patent code US9862679

Compile Data Set for Download or QSAR
Found 189 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
Transporter


(Rattus norvegicus (rat))
BDBM364427
PNG
(US9862679, Compound 10a)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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0n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364425
PNG
(US9862679, Compound 10d)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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0n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364427
PNG
(US9862679, Compound 10a)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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0n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199806
PNG
(CHEMBL3944169 | US9862679, Compound 9a)
Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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0.940n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364423
PNG
(US9862679, Compound 10j)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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2.53n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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2.54n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364421
PNG
(US9862679, Compound 8b)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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2.92n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364419
PNG
(US9862679, Compound 8a)
Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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3.17n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364429
PNG
(US9862679, Compound 10g)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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3.43n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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3.58n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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4.03n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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4.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199795
PNG
(CHEMBL3909363 | US9862679, Compound 9j)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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6.72n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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16.7n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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16.8n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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19.9n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364419
PNG
(US9862679, Compound 8a)
Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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20.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364421
PNG
(US9862679, Compound 8b)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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25.9n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364406
PNG
(US9862679, Compound 4c)
Show SMILES NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H15Br2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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26.3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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28.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364405
PNG
(US9862679, Compound 4b)
Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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29.9n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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30n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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31.8n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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33n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199795
PNG
(CHEMBL3909363 | US9862679, Compound 9j)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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38.6n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364421
PNG
(US9862679, Compound 8b)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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42.4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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47.2n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199806
PNG
(CHEMBL3944169 | US9862679, Compound 9a)
Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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49.6n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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59.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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84.7n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199806
PNG
(CHEMBL3944169 | US9862679, Compound 9a)
Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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92.6n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199795
PNG
(CHEMBL3909363 | US9862679, Compound 9j)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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95.4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199792
PNG
(CHEMBL3126735 | US9862679, Compound 4g)
Show SMILES Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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116n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364419
PNG
(US9862679, Compound 8a)
Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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116n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364404
PNG
(US9862679, Compound 4a)
Show SMILES NCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17NS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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143n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364411
PNG
(US9862679, Compound 4i)
Show SMILES Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H25Br2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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163n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364423
PNG
(US9862679, Compound 10j)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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176n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50336890
PNG
((+/-)-N-(2-(benzhydrylsulfinyl)ethyl)-3-phenylprop...)
Show SMILES O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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194n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364414
PNG
(US9862679, Compound 5c)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25F2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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200n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199795
PNG
(CHEMBL3909363 | US9862679, Compound 9j)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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213n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364404
PNG
(US9862679, Compound 4a)
Show SMILES NCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17NS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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226n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364392
PNG
(US9862679, Compound 2w)
Show SMILES Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C24H23Cl2NOS/c25-21-12-8-18(9-13-21)5-4-16-27-23(28)17-29-24(19-6-2-1-3-7-19)20-10-14-22(26)15-11-20/h1-3,6-15,24H,4-5,16-17H2,(H,27,28)
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228n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364393
PNG
(US9862679, Compound 2x)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H23Br2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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244n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364375
PNG
(US9862679, Compound 2e)
Show SMILES NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-3-10(7-12)15(20-9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
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277n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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285n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364425
PNG
(US9862679, Compound 10d)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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289n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364409
PNG
(US9862679, Compound 4f)
Show SMILES C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NS/c1-4-11-21(12-5-1)13-10-18-25-19-20-26-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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297n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364405
PNG
(US9862679, Compound 4b)
Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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298n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364408
PNG
(US9862679, Compound 4e)
Show SMILES CCCCNCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H25NS/c1-2-3-14-20-15-16-21-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
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315n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364429
PNG
(US9862679, Compound 10g)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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316n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364423
PNG
(US9862679, Compound 10j)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
PDB

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336n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199792
PNG
(CHEMBL3126735 | US9862679, Compound 4g)
Show SMILES Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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360n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364395
PNG
(US9862679, Compound 2z)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NCCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H25Br2NOS/c26-22-13-9-20(10-14-22)25(21-11-15-23(27)16-12-21)30-18-24(29)28-17-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-16,25H,4-5,8,17-18H2,(H,28,29)
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414n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364407
PNG
(US9862679, Compound 4d)
Show SMILES C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2
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437n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364391
PNG
(US9862679, Compound 2v)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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452n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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469n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364406
PNG
(US9862679, Compound 4c)
Show SMILES NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H15Br2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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488n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364415
PNG
(US9862679, Compound 5d)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Cl2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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542n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364400
PNG
(US9862679, Compound 3e)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1/C15H14BrNO2S/c16-13-8-4-7-12(9-13)15(20(19)10-14(17)18)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,17,18)
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550n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364416
PNG
(US9862679, Compound 5e)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Br2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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564n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364383
PNG
(US9862679, Compound 2n)
Show SMILES CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H19Br2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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592n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364411
PNG
(US9862679, Compound 4i)
Show SMILES Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H25Br2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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618n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364427
PNG
(US9862679, Compound 10a)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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636n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364415
PNG
(US9862679, Compound 5d)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Cl2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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660n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364421
PNG
(US9862679, Compound 8b)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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678n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364389
PNG
(US9862679, Compound 2t)
Show SMILES CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H21Br2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
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729n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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773n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364409
PNG
(US9862679, Compound 4f)
Show SMILES C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NS/c1-4-11-21(12-5-1)13-10-18-25-19-20-26-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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853n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364427
PNG
(US9862679, Compound 10a)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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861n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364402
PNG
(US9862679, Compound 3g)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1/C24H23Br2NO2S/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)30(29)17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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906n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364399
PNG
(US9862679, Compound 3d)
Show SMILES NC(=O)CS(=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1/C15H13Cl2NO2S/c16-12-5-1-3-10(7-12)15(21(20)9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
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908n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364404
PNG
(US9862679, Compound 4a)
Show SMILES NCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17NS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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982n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364429
PNG
(US9862679, Compound 10g)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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983n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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988n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364386
PNG
(US9862679, Compound 2q)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17Br2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
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993n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50336890
PNG
((+/-)-N-(2-(benzhydrylsulfinyl)ethyl)-3-phenylprop...)
Show SMILES O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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1.00E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM364425
PNG
(US9862679, Compound 10d)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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1.01E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199854
PNG
(CHEMBL3952924 | US9862679, Compound 7a)
Show SMILES C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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1.05E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364412
PNG
(US9862679, Compound 5a)
Show SMILES NCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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1.11E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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1.12E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364394
PNG
(US9862679, Compound 2y)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C25H27NOS/c27-24(26-19-11-10-14-21-12-4-1-5-13-21)20-28-25(22-15-6-2-7-16-22)23-17-8-3-9-18-23/h1-9,12-13,15-18,25H,10-11,14,19-20H2,(H,26,27)
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1.16E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364382
PNG
(US9862679, Compound 2m)
Show SMILES CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19Cl2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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1.25E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364416
PNG
(US9862679, Compound 5e)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Br2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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1.29E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364402
PNG
(US9862679, Compound 3g)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1/C24H23Br2NO2S/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)30(29)17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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1.29E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364414
PNG
(US9862679, Compound 5c)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25F2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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1.31E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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US Patent
1.43E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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1.43E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364413
PNG
(US9862679, Compound 5b)
Show SMILES CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C19H25NOS/c1-2-3-14-20-15-16-22(21)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
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US Patent
1.58E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199800
PNG
(CHEMBL3979590 | US9862679, Compound 9g)
Show SMILES OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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1.63E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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1.77E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364425
PNG
(US9862679, Compound 10d)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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US Patent
1.80E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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1.89E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199795
PNG
(CHEMBL3909363 | US9862679, Compound 9j)
Show SMILES OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2OS/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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1.95E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364390
PNG
(US9862679, Compound 2u)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NCCCc1ccccc1
Show InChI InChI=1S/C24H25NOS/c26-23(25-18-10-13-20-11-4-1-5-12-20)19-27-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,11-12,14-17,24H,10,13,18-19H2,(H,25,26)
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2.02E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50336895
PNG
(2-(Bis(4-chlorophenyl)methylthio)acetamide | CHEMB...)
Show SMILES NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
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2.23E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50336890
PNG
((+/-)-N-(2-(benzhydrylsulfinyl)ethyl)-3-phenylprop...)
Show SMILES O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C24H27NOS/c26-27(20-19-25-18-10-13-21-11-4-1-5-12-21)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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2.35E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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2.52E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364378
PNG
(US9862679, Compound 2i)
Show SMILES CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15Br2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
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3.03E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364411
PNG
(US9862679, Compound 4i)
Show SMILES Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H25Br2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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3.18E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364414
PNG
(US9862679, Compound 5c)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25F2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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3.28E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364412
PNG
(US9862679, Compound 5a)
Show SMILES NCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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3.42E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364391
PNG
(US9862679, Compound 2v)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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3.64E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199792
PNG
(CHEMBL3126735 | US9862679, Compound 4g)
Show SMILES Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2NS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)28-18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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3.85E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364409
PNG
(US9862679, Compound 4f)
Show SMILES C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NS/c1-4-11-21(12-5-1)13-10-18-25-19-20-26-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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3.91E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM364427
PNG
(US9862679, Compound 10a)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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3.93E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364377
PNG
(US9862679, Compound 2h)
Show SMILES CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
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4.24E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364421
PNG
(US9862679, Compound 8b)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1/C28H32F2N2OS/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)34(33)22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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4.28E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364423
PNG
(US9862679, Compound 10j)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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4.61E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364419
PNG
(US9862679, Compound 8a)
Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
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5.54E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364378
PNG
(US9862679, Compound 2i)
Show SMILES CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15Br2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
PDB

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5.75E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364415
PNG
(US9862679, Compound 5d)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Cl2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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5.80E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364408
PNG
(US9862679, Compound 4e)
Show SMILES CCCCNCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H25NS/c1-2-3-14-20-15-16-21-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
PDB

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5.82E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364398
PNG
(US9862679, Compound 3c)
Show SMILES NC(=O)CS(=O)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1/C15H13F2NO2S/c16-12-5-1-3-10(7-12)15(21(20)9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
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6.18E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364388
PNG
(US9862679, Compound 2s)
Show SMILES CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
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6.47E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364385
PNG
(US9862679, Compound 2p)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17F2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
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6.86E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364405
PNG
(US9862679, Compound 4b)
Show SMILES NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H15Cl2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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6.97E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364389
PNG
(US9862679, Compound 2t)
Show SMILES CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H21Br2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
PDB

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7.09E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364419
PNG
(US9862679, Compound 8a)
Show SMILES O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
PDB

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7.22E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364386
PNG
(US9862679, Compound 2q)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17Br2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
PDB

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7.27E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364416
PNG
(US9862679, Compound 5e)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
Show InChI InChI=1/C24H25Br2NOS/c25-22-12-8-20(9-13-22)24(21-10-14-23(26)15-11-21)29(28)18-17-27-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,27H,4,7,16-18H2
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7.58E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364389
PNG
(US9862679, Compound 2t)
Show SMILES CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H21Br2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
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7.60E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364382
PNG
(US9862679, Compound 2m)
Show SMILES CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19Cl2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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7.62E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364394
PNG
(US9862679, Compound 2y)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C25H27NOS/c27-24(26-19-11-10-14-21-12-4-1-5-13-21)20-28-25(22-15-6-2-7-16-22)23-17-8-3-9-18-23/h1-9,12-13,15-18,25H,10-11,14,19-20H2,(H,26,27)
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7.98E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364406
PNG
(US9862679, Compound 4c)
Show SMILES NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H15Br2NS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
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8.58E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364383
PNG
(US9862679, Compound 2n)
Show SMILES CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H19Br2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
PDB

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8.97E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364379
PNG
(US9862679, Compound 2j)
Show SMILES C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20)
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9.19E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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9.32E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364377
PNG
(US9862679, Compound 2h)
Show SMILES CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
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9.81E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364407
PNG
(US9862679, Compound 4d)
Show SMILES C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2
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1.00E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364382
PNG
(US9862679, Compound 2m)
Show SMILES CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19Cl2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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1.03E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364383
PNG
(US9862679, Compound 2n)
Show SMILES CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H19Br2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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1.06E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364378
PNG
(US9862679, Compound 2i)
Show SMILES CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C16H15Br2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
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1.12E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364408
PNG
(US9862679, Compound 4e)
Show SMILES CCCCNCCSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H25NS/c1-2-3-14-20-15-16-21-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
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1.15E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364381
PNG
(US9862679, Compound 2l)
Show SMILES CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C18H19F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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1.20E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364374
PNG
(US9862679, Compound 2a)
Show SMILES NC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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1.27E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50336895
PNG
(2-(Bis(4-chlorophenyl)methylthio)acetamide | CHEMB...)
Show SMILES NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
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1.27E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364396
PNG
(US9862679, Compound 3a)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)CC(N)=O
Show InChI InChI=1/C17H19NO2S/c1-12-3-7-14(8-4-12)17(21(20)11-16(18)19)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H2,18,19)
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1.27E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364374
PNG
(US9862679, Compound 2a)
Show SMILES NC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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1.27E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364401
PNG
(US9862679, Compound 3f)
Show SMILES CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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1.34E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364384
PNG
(US9862679, Compound 2o)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H19NOS/c20-17(19-16-11-12-16)13-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)
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1.39E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364423
PNG
(US9862679, Compound 10j)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H32F2N2O2S/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2
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1.50E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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1.52E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364407
PNG
(US9862679, Compound 4d)
Show SMILES C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H21NS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-14-13-19-17-11-12-17/h1-10,17-19H,11-14H2
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1.75E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199790
PNG
(CHEMBL3916231 | US9862679, Compound 9d)
Show SMILES CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2OS/c1-17(27)16-26-12-10-25(11-13-26)14-15-28-22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
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1.78E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364376
PNG
(US9862679, Compound 2g)
Show SMILES CNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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1.94E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364380
PNG
(US9862679, Compound 2k)
Show SMILES CCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3,(H,19,20)
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2.07E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364384
PNG
(US9862679, Compound 2o)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H19NOS/c20-17(19-16-11-12-16)13-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)
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2.09E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364429
PNG
(US9862679, Compound 10g)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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2.17E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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2.26E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364387
PNG
(US9862679, Compound 2r)
Show SMILES CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NOS/c1-2-3-14-20-18(21)15-22-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,21)
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2.40E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364412
PNG
(US9862679, Compound 5a)
Show SMILES NCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C15H17NOS/c16-11-12-18(17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
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2.46E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364429
PNG
(US9862679, Compound 10g)
Show SMILES OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H34N2O2S/c31-27(22-24-10-4-1-5-11-24)23-30-18-16-29(17-19-30)20-21-33(32)28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2
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2.53E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364388
PNG
(US9862679, Compound 2s)
Show SMILES CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
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2.58E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199806
PNG
(CHEMBL3944169 | US9862679, Compound 9a)
Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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2.67E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364376
PNG
(US9862679, Compound 2g)
Show SMILES CNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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2.73E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364377
PNG
(US9862679, Compound 2h)
Show SMILES CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16H,10H2,1H3,(H,19,20)
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>3.00E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364375
PNG
(US9862679, Compound 2e)
Show SMILES NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-3-10(7-12)15(20-9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
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3.40E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364385
PNG
(US9862679, Compound 2p)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17F2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
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3.54E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM364397
PNG
(US9862679, Compound 3b)
Show SMILES NC(=O)CS(=O)C(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C17H13F6NO2S/c18-16(19,20)12-5-1-10(2-6-12)15(27(26)9-14(24)25)11-3-7-13(8-4-11)17(21,22)23/h1-8,15H,9H2,(H2,24,25)
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3.54E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364393
PNG
(US9862679, Compound 2x)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H23Br2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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3.63E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199806
PNG
(CHEMBL3944169 | US9862679, Compound 9a)
Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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4.45E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364381
PNG
(US9862679, Compound 2l)
Show SMILES CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C18H19F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
PDB

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4.51E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364425
PNG
(US9862679, Compound 10d)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1/C22H28F2N2O2S/c1-17(27)16-26-12-10-25(11-13-26)14-15-29(28)22(18-2-6-20(23)7-3-18)19-4-8-21(24)9-5-19/h2-9,17,22,27H,10-16H2,1H3
PDB

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5.03E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50336895
PNG
(2-(Bis(4-chlorophenyl)methylthio)acetamide | CHEMB...)
Show SMILES NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
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5.21E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199810
PNG
(CHEMBL3899193 | US9862679, Compound 12a)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C28H32N2OS/c31-27(23-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26)30-21-19-29(20-22-30)18-10-13-24-11-4-1-5-12-24/h1-9,11-12,14-17,28H,10,13,18-23H2
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5.43E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364380
PNG
(US9862679, Compound 2k)
Show SMILES CCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3,(H,19,20)
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5.59E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364388
PNG
(US9862679, Compound 2s)
Show SMILES CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F2NOS/c1-2-3-12-22-18(23)13-24-19(14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,19H,2-3,12-13H2,1H3,(H,22,23)
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5.62E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364385
PNG
(US9862679, Compound 2p)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17F2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
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5.76E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364393
PNG
(US9862679, Compound 2x)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H23Br2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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6.08E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364381
PNG
(US9862679, Compound 2l)
Show SMILES CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C18H19F2NOS/c1-2-11-21-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,18H,2,11-12H2,1H3,(H,21,22)
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6.17E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364413
PNG
(US9862679, Compound 5b)
Show SMILES CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C19H25NOS/c1-2-3-14-20-15-16-22(21)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
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6.46E+4n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364392
PNG
(US9862679, Compound 2w)
Show SMILES Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C24H23Cl2NOS/c25-21-12-8-18(9-13-21)5-4-16-27-23(28)17-29-24(19-6-2-1-3-7-19)20-10-14-22(26)15-11-20/h1-3,6-15,24H,4-5,16-17H2,(H,27,28)
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364384
PNG
(US9862679, Compound 2o)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Show InChI InChI=1S/C18H19NOS/c20-17(19-16-11-12-16)13-21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364394
PNG
(US9862679, Compound 2y)
Show SMILES O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
Show InChI InChI=1S/C25H27NOS/c27-24(26-19-11-10-14-21-12-4-1-5-13-21)20-28-25(22-15-6-2-7-16-22)23-17-8-3-9-18-23/h1-9,12-13,15-18,25H,10-11,14,19-20H2,(H,26,27)
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364401
PNG
(US9862679, Compound 3f)
Show SMILES CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364386
PNG
(US9862679, Compound 2q)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17Br2NOS/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)23-11-17(22)21-16-9-10-16/h1-8,16,18H,9-11H2,(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364387
PNG
(US9862679, Compound 2r)
Show SMILES CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NOS/c1-2-3-14-20-18(21)15-22-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364401
PNG
(US9862679, Compound 3f)
Show SMILES CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364392
PNG
(US9862679, Compound 2w)
Show SMILES Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1/C24H23Cl2NOS/c25-21-12-8-18(9-13-21)5-4-16-27-23(28)17-29-24(19-6-2-1-3-7-19)20-10-14-22(26)15-11-20/h1-3,6-15,24H,4-5,16-17H2,(H,27,28)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364391
PNG
(US9862679, Compound 2v)
Show SMILES Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2NOS/c25-21-12-8-19(9-13-21)24(20-10-14-22(26)15-11-20)29-17-23(28)27-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,24H,4,7,16-17H2,(H,27,28)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364374
PNG
(US9862679, Compound 2a)
Show SMILES NC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364395
PNG
(US9862679, Compound 2z)
Show SMILES Brc1ccc(cc1)C(SCC(=O)NCCCCc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H25Br2NOS/c26-22-13-9-20(10-14-22)25(21-11-15-23(27)16-12-21)30-18-24(29)28-17-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-16,25H,4-5,8,17-18H2,(H,28,29)
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364387
PNG
(US9862679, Compound 2r)
Show SMILES CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NOS/c1-2-3-14-20-18(21)15-22-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,2-3,14-15H2,1H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364413
PNG
(US9862679, Compound 5b)
Show SMILES CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1/C19H25NOS/c1-2-3-14-20-15-16-22(21)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3
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>1.40E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM364379
PNG
(US9862679, Compound 2j)
Show SMILES C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20)
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>2.30E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364376
PNG
(US9862679, Compound 2g)
Show SMILES CNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364379
PNG
(US9862679, Compound 2j)
Show SMILES C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,18H,1,13-14H2,(H,19,20)
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364380
PNG
(US9862679, Compound 2k)
Show SMILES CCCNC(=O)CSC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-2-13-19-17(20)14-21-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3,(H,19,20)
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>5.50E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM364375
PNG
(US9862679, Compound 2e)
Show SMILES NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13Cl2NOS/c16-12-5-1-3-10(7-12)15(20-9-14(18)19)11-4-2-6-13(17)8-11/h1-8,15H,9H2,(H2,18,19)
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7.39E+5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%