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Patent code US9828374

Compile Data Set for Download or QSAR
Found 94 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
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360648
PNG
((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)14-1-3-15(4-2-14)25-19(28)26-16-5-6-17-13(11-16)7-9-27-10-8-24-12-18(17)27/h1-6,11,18,24H,7-10,12H2,(H2,25,26,28)/t18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360648
PNG
((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)14-1-3-15(4-2-14)25-19(28)26-16-5-6-17-13(11-16)7-9-27-10-8-24-12-18(17)27/h1-6,11,18,24H,7-10,12H2,(H2,25,26,28)/t18-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360621
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360627
PNG
((11bR)-N-(5-cyclopropylpyrimidin-2-yl)-2,3,4,6,7,1...)
Show SMILES C1CC1c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C19H23N5/c1-2-13(1)15-10-21-19(22-11-15)23-16-3-4-17-14(9-16)5-7-24-8-6-20-12-18(17)24/h3-4,9-11,13,18,20H,1-2,5-8,12H2,(H,21,22,23)/t18-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360621
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360632
PNG
(N4-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1...)
Show SMILES CN(C)c1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c1-27(2)17-10-16(25-18(26-17)19(20,21)22)24-13-3-4-14-12(9-13)5-7-28-8-6-23-11-15(14)28/h3-4,9-10,15,23H,5-8,11H2,1-2H3,(H,24,25,26)/t15-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360626
PNG
((R)-N-(5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl)-2,...)
Show SMILES FC(F)(F)COc1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C18H20F3N5O/c19-18(20,21)11-27-14-8-23-17(24-9-14)25-13-1-2-15-12(7-13)3-5-26-6-4-22-10-16(15)26/h1-2,7-9,16,22H,3-6,10-11H2,(H,23,24,25)/t16-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360631
PNG
((11bR)-N-[6-methoxy-2-(trifluoromethyl)pyrimidin-4...)
Show SMILES COc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O/c1-27-16-9-15(24-17(25-16)18(19,20)21)23-12-2-3-13-11(8-12)4-6-26-7-5-22-10-14(13)26/h2-3,8-9,14,22H,4-7,10H2,1H3,(H,23,24,25)/t14-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360616
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360649
PNG
((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-26-17-5-2-15(3-6-17)22-20(25)23-16-4-7-18-14(12-16)8-10-24-11-9-21-13-19(18)24/h2-7,12,19,21H,8-11,13H2,1H3,(H2,22,23,25)/t19-/m0/s1
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10.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360633
PNG
((11bR)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5/c1-11-8-16(25-17(23-11)18(19,20)21)24-13-2-3-14-12(9-13)4-6-26-7-5-22-10-15(14)26/h2-3,8-9,15,22H,4-7,10H2,1H3,(H,23,24,25)/t15-/m0/s1
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11.2n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360626
PNG
((R)-N-(5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl)-2,...)
Show SMILES FC(F)(F)COc1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C18H20F3N5O/c19-18(20,21)11-27-14-8-23-17(24-9-14)25-13-1-2-15-12(7-13)3-5-26-6-4-22-10-16(15)26/h1-2,7-9,16,22H,3-6,10-11H2,(H,23,24,25)/t16-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360634
PNG
((11bR)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES FC(F)(F)c1nc(Cl)cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H17ClF3N5/c18-14-8-15(25-16(24-14)17(19,20)21)23-11-1-2-12-10(7-11)3-5-26-6-4-22-9-13(12)26/h1-2,7-8,13,22H,3-6,9H2,(H,23,24,25)/t13-/m0/s1
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13.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360622
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)17-10-13(3-5-24-17)18(27)25-14-1-2-15-12(9-14)4-7-26-8-6-23-11-16(15)26/h1-3,5,9-10,16,23H,4,6-8,11H2,(H,25,27)/t16-/m1/s1
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14.2n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360622
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)17-10-13(3-5-24-17)18(27)25-14-1-2-15-12(9-14)4-7-26-8-6-23-11-16(15)26/h1-3,5,9-10,16,23H,4,6-8,11H2,(H,25,27)/t16-/m1/s1
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14.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360618
PNG
((11bR)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)16-22-5-3-15(24-16)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m0/s1
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15.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360657
PNG
((11bR)-N-(4-chlorophenyl)-2,3,4,6,7,11b-hexahydro-...)
Show SMILES Clc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-2-4-16(5-3-15)22-19(24)14-1-6-17-13(11-14)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m0/s1
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16.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360627
PNG
((11bR)-N-(5-cyclopropylpyrimidin-2-yl)-2,3,4,6,7,1...)
Show SMILES C1CC1c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C19H23N5/c1-2-13(1)15-10-21-19(22-11-15)23-16-3-4-17-14(9-16)5-7-24-8-6-20-12-18(17)24/h3-4,9-11,13,18,20H,1-2,5-8,12H2,(H,21,22,23)/t18-/m0/s1
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19.2n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360619
PNG
((11bR)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)12-8-22-16(23-9-12)24-13-1-2-14-11(7-13)3-5-25-6-4-21-10-15(14)25/h1-2,7-9,15,21H,3-6,10H2,(H,22,23,24)/t15-/m0/s1
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19.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360649
PNG
((R)-1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-26-17-5-2-15(3-6-17)22-20(25)23-16-4-7-18-14(12-16)8-10-24-11-9-21-13-19(18)24/h2-7,12,19,21H,8-11,13H2,1H3,(H2,22,23,25)/t19-/m0/s1
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23n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360632
PNG
(N4-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1...)
Show SMILES CN(C)c1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c1-27(2)17-10-16(25-18(26-17)19(20,21)22)24-13-3-4-14-12(9-13)5-7-28-8-6-23-11-15(14)28/h3-4,9-10,15,23H,5-8,11H2,1-2H3,(H,24,25,26)/t15-/m0/s1
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23.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360634
PNG
((11bR)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES FC(F)(F)c1nc(Cl)cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H17ClF3N5/c18-14-8-15(25-16(24-14)17(19,20)21)23-11-1-2-12-10(7-11)3-5-26-6-4-22-9-13(12)26/h1-2,7-8,13,22H,3-6,9H2,(H,23,24,25)/t13-/m0/s1
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26.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360656
PNG
((11bR)-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,4...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)c1
Show InChI InChI=1S/C21H22F3N3O/c22-21(23,24)17-3-1-2-14(10-17)12-26-20(28)16-4-5-18-15(11-16)6-8-27-9-7-25-13-19(18)27/h1-5,10-11,19,25H,6-9,12-13H2,(H,26,28)/t19-/m0/s1
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30.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360620
PNG
((11bR)-N-[5-(trifluoromethyl)pyrazin-2-yl]-2,3,4,6...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-9-23-16(10-22-15)24-12-1-2-13-11(7-12)3-5-25-6-4-21-8-14(13)25/h1-2,7,9-10,14,21H,3-6,8H2,(H,23,24)/t14-/m0/s1
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32.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360650
PNG
(N-[(11R)-2,3,4,6,7,11-hexahydro-1H-pyrazino[2,1-a]...)
Show SMILES C1CC1c1noc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H21N5O/c1-2-11(1)16-20-17(23-21-16)19-13-3-4-14-12(9-13)5-7-22-8-6-18-10-15(14)22/h3-4,9,11,15,18H,1-2,5-8,10H2,(H,19,20,21)/t15-/m0/s1
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34.7n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360638
PNG
((11bR)-N-(5-ethylpyrimidin-2-yl)-2,3,4,6,7,11b-hex...)
Show SMILES CCc1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C18H23N5/c1-2-13-10-20-18(21-11-13)22-15-3-4-16-14(9-15)5-7-23-8-6-19-12-17(16)23/h3-4,9-11,17,19H,2,5-8,12H2,1H3,(H,20,21,22)/t17-/m0/s1
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34.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360618
PNG
((11bR)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)16-22-5-3-15(24-16)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m0/s1
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35.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360620
PNG
((11bR)-N-[5-(trifluoromethyl)pyrazin-2-yl]-2,3,4,6...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-9-23-16(10-22-15)24-12-1-2-13-11(7-12)3-5-25-6-4-21-8-14(13)25/h1-2,7,9-10,14,21H,3-6,8H2,(H,23,24)/t14-/m0/s1
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35.6n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360633
PNG
((11bR)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5/c1-11-8-16(25-17(23-11)18(19,20)21)24-13-2-3-14-12(9-13)4-6-26-7-5-22-10-15(14)26/h2-3,8-9,15,22H,4-7,10H2,1H3,(H,23,24,25)/t15-/m0/s1
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36.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360619
PNG
((11bR)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,4...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)12-8-22-16(23-9-12)24-13-1-2-14-11(7-13)3-5-25-6-4-21-10-15(14)25/h1-2,7-9,15,21H,3-6,10H2,(H,22,23,24)/t15-/m0/s1
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37.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360655
PNG
((11bR)-N-(6-chloro-3-pyridyl)-2,3,4,6,7,11b-hexahy...)
Show SMILES Clc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C18H19ClN4O/c19-17-4-2-14(10-21-17)22-18(24)13-1-3-15-12(9-13)5-7-23-8-6-20-11-16(15)23/h1-4,9-10,16,20H,5-8,11H2,(H,22,24)/t16-/m0/s1
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39.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360639
PNG
((R)-N-(6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(OCC(F)(F)F)n1
Show InChI InChI=1S/C19H22F3N5O/c1-12-8-17(26-18(24-12)28-11-19(20,21)22)25-14-2-3-15-13(9-14)4-6-27-7-5-23-10-16(15)27/h2-3,8-9,16,23H,4-7,10-11H2,1H3,(H,24,25,26)/t16-/m0/s1
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41n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360638
PNG
((11bR)-N-(5-ethylpyrimidin-2-yl)-2,3,4,6,7,11b-hex...)
Show SMILES CCc1cnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc1
Show InChI InChI=1S/C18H23N5/c1-2-13-10-20-18(21-11-13)22-15-3-4-16-14(9-15)5-7-23-8-6-19-12-17(16)23/h3-4,9-11,17,19H,2,5-8,12H2,1H3,(H,20,21,22)/t17-/m0/s1
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43.8n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360631
PNG
((11bR)-N-[6-methoxy-2-(trifluoromethyl)pyrimidin-4...)
Show SMILES COc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O/c1-27-16-9-15(24-17(25-16)18(19,20)21)23-12-2-3-13-11(8-12)4-6-26-7-5-22-10-14(13)26/h2-3,8-9,14,22H,4-7,10H2,1H3,(H,23,24,25)/t14-/m0/s1
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43.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360637
PNG
((11bR)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,4...)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-3-5-22-16(24-15)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m0/s1
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47.1n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360616
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20ClN3O/c20-15-3-1-13(2-4-15)19(24)22-16-5-6-17-14(11-16)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m0/s1
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56.2n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360637
PNG
((11bR)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,4...)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-3-5-22-16(24-15)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m0/s1
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59.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360628
PNG
((11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES C1CN2CCc3ccccc3[C@@H]2CN1
Show InChI InChI=1S/C12H16N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-4,12-13H,5-9H2/t12-/m0/s1
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60.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360646
PNG
((11bR)-N-(5-cyclopropylpyrimidin-2-yl)-8-fluoro-2,...)
Show SMILES Fc1c(Nc2ncc(cn2)C2CC2)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C19H22FN5/c20-18-15-5-7-25-8-6-21-11-17(25)14(15)3-4-16(18)24-19-22-9-13(10-23-19)12-1-2-12/h3-4,9-10,12,17,21H,1-2,5-8,11H2,(H,22,23,24)/t17-/m0/s1
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67.7n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360647
PNG
((11bR)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Fc1c(Nc2cc(Cl)nc(n2)C(F)(F)F)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C17H16ClF4N5/c18-13-7-14(26-16(25-13)17(20,21)22)24-11-2-1-9-10(15(11)19)3-5-27-6-4-23-8-12(9)27/h1-2,7,12,23H,3-6,8H2,(H,24,25,26)/t12-/m0/s1
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79.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360646
PNG
((11bR)-N-(5-cyclopropylpyrimidin-2-yl)-8-fluoro-2,...)
Show SMILES Fc1c(Nc2ncc(cn2)C2CC2)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C19H22FN5/c20-18-15-5-7-25-8-6-21-11-17(25)14(15)3-4-16(18)24-19-22-9-13(10-23-19)12-1-2-12/h3-4,9-10,12,17,21H,1-2,5-8,11H2,(H,22,23,24)/t17-/m0/s1
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106n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360614
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)17-10-13(3-5-24-17)18(27)25-14-1-2-15-12(9-14)4-7-26-8-6-23-11-16(15)26/h1-3,5,9-10,16,23H,4,6-8,11H2,(H,25,27)/t16-/m0/s1
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121n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360615
PNG
((11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES Brc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C12H15BrN2/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8H2/t12-/m0/s1
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129n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360656
PNG
((11bR)-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,4...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)c1
Show InChI InChI=1S/C21H22F3N3O/c22-21(23,24)17-3-1-2-14(10-17)12-26-20(28)16-4-5-18-15(11-16)6-8-27-9-7-25-13-19(18)27/h1-5,10-11,19,25H,6-9,12-13H2,(H,26,28)/t19-/m0/s1
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137n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360617
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)17-23-8-12(9-24-17)16(27)25-13-1-2-14-11(7-13)3-5-26-6-4-22-10-15(14)26/h1-2,7-9,15,22H,3-6,10H2,(H,25,27)/t15-/m0/s1
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140n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360654
PNG
((R)-3-ethyl-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES CCc1n[nH]c(C(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)c1C
Show InChI InChI=1S/C19H25N5O/c1-3-16-12(2)18(23-22-16)19(25)21-14-4-5-15-13(10-14)6-8-24-9-7-20-11-17(15)24/h4-5,10,17,20H,3,6-9,11H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1
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145n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360639
PNG
((R)-N-(6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(OCC(F)(F)F)n1
Show InChI InChI=1S/C19H22F3N5O/c1-12-8-17(26-18(24-12)28-11-19(20,21)22)25-14-2-3-15-13(9-14)4-6-27-7-5-23-10-16(15)27/h2-3,8-9,16,23H,4-7,10-11H2,1H3,(H,24,25,26)/t16-/m0/s1
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154n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360651
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20F3N5O/c1-11-8-15(26-18(24-11)19(20,21)22)17(28)25-13-2-3-14-12(9-13)4-6-27-7-5-23-10-16(14)27/h2-3,8-9,16,23H,4-7,10H2,1H3,(H,25,28)/t16-/m0/s1
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157n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360636
PNG
((11bR)-N-(2,6-dimethylpyrimidin-4-yl)-2,3,4,6,7,11...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(C)n1
Show InChI InChI=1S/C18H23N5/c1-12-9-18(21-13(2)20-12)22-15-3-4-16-14(10-15)5-7-23-8-6-19-11-17(16)23/h3-4,9-10,17,19H,5-8,11H2,1-2H3,(H,20,21,22)/t17-/m0/s1
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165n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360629
PNG
(N-[(11bR)-10-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyr...)
Show SMILES Fc1cc2[C@@H]3CNCCN3CCc2cc1NC(=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N4O/c20-14-9-13-11(2-5-27-6-4-24-10-16(13)27)7-15(14)26-18(28)12-1-3-25-17(8-12)19(21,22)23/h1,3,7-9,16,24H,2,4-6,10H2,(H,26,28)/t16-/m0/s1
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175n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360643
PNG
((11bR)-8-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyrazin...)
Show SMILES Fc1cccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C12H15FN2/c13-11-3-1-2-10-9(11)4-6-15-7-5-14-8-12(10)15/h1-3,12,14H,4-8H2/t12-/m0/s1
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176n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360615
PNG
((11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES Brc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C12H15BrN2/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8H2/t12-/m0/s1
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180n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360623
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)17-23-8-12(9-24-17)16(27)25-13-1-2-14-11(7-13)3-5-26-6-4-22-10-15(14)26/h1-2,7-9,15,22H,3-6,10H2,(H,25,27)/t15-/m1/s1
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189n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360617
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)17-23-8-12(9-24-17)16(27)25-13-1-2-14-11(7-13)3-5-26-6-4-22-10-15(14)26/h1-2,7-9,15,22H,3-6,10H2,(H,25,27)/t15-/m0/s1
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189n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360623
PNG
(N-[(11bS)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc2[C@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)17-23-8-12(9-24-17)16(27)25-13-1-2-14-11(7-13)3-5-26-6-4-22-10-15(14)26/h1-2,7-9,15,22H,3-6,10H2,(H,25,27)/t15-/m1/s1
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191n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360650
PNG
(N-[(11R)-2,3,4,6,7,11-hexahydro-1H-pyrazino[2,1-a]...)
Show SMILES C1CC1c1noc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H21N5O/c1-2-11(1)16-20-17(23-21-16)19-13-3-4-14-12(9-13)5-7-22-8-6-18-10-15(14)22/h3-4,9,11,15,18H,1-2,5-8,10H2,(H,19,20,21)/t15-/m0/s1
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198n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360614
PNG
(N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)17-10-13(3-5-24-17)18(27)25-14-1-2-15-12(9-14)4-7-26-8-6-23-11-16(15)26/h1-3,5,9-10,16,23H,4,6-8,11H2,(H,25,27)/t16-/m0/s1
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199n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360643
PNG
((11bR)-8-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyrazin...)
Show SMILES Fc1cccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C12H15FN2/c13-11-3-1-2-10-9(11)4-6-15-7-5-14-8-12(10)15/h1-3,12,14H,4-8H2/t12-/m0/s1
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201n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360653
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Cc1nsc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C15H19N5S/c1-10-17-15(21-19-10)18-12-2-3-13-11(8-12)4-6-20-7-5-16-9-14(13)20/h2-3,8,14,16H,4-7,9H2,1H3,(H,17,18,19)/t14-/m0/s1
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202n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360625
PNG
((11bS)-N-[5-(trifluoromethyl)pyrazin-2-yl]-2,3,4,6...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-9-23-16(10-22-15)24-12-1-2-13-11(7-12)3-5-25-6-4-21-8-14(13)25/h1-2,7,9-10,14,21H,3-6,8H2,(H,23,24)/t14-/m1/s1
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219n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360651
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)C(=O)Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C19H20F3N5O/c1-11-8-15(26-18(24-11)19(20,21)22)17(28)25-13-2-3-14-12(9-13)4-6-27-7-5-23-10-16(14)27/h2-3,8-9,16,23H,4-7,10H2,1H3,(H,25,28)/t16-/m0/s1
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222n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360647
PNG
((11bR)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Fc1c(Nc2cc(Cl)nc(n2)C(F)(F)F)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C17H16ClF4N5/c18-13-7-14(26-16(25-13)17(20,21)22)24-11-2-1-9-10(15(11)19)3-5-27-6-4-23-8-12(9)27/h1-2,7,12,23H,3-6,8H2,(H,24,25,26)/t12-/m0/s1
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223n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360628
PNG
((11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES C1CN2CCc3ccccc3[C@@H]2CN1
Show InChI InChI=1S/C12H16N2/c1-2-4-11-10(3-1)5-7-14-8-6-13-9-12(11)14/h1-4,12-13H,5-9H2/t12-/m0/s1
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248n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360630
PNG
((11bR)-10-fluoro-N-[5-(trifluoromethyl)pyrimidin-2...)
Show SMILES Fc1cc2[C@@H]3CNCCN3CCc2cc1Nc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H17F4N5/c18-13-6-12-10(1-3-26-4-2-22-9-15(12)26)5-14(13)25-16-23-7-11(8-24-16)17(19,20)21/h5-8,15,22H,1-4,9H2,(H,23,24,25)/t15-/m0/s1
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260n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360640
PNG
((11bR)-9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C14H20N2/c1-2-11-3-4-13-12(9-11)5-7-16-8-6-15-10-14(13)16/h3-4,9,14-15H,2,5-8,10H2,1H3/t14-/m0/s1
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266n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360657
PNG
((11bR)-N-(4-chlorophenyl)-2,3,4,6,7,11b-hexahydro-...)
Show SMILES Clc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cc1
Show InChI InChI=1S/C19H20ClN3O/c20-15-2-4-16(5-3-15)22-19(24)14-1-6-17-13(11-14)7-9-23-10-8-21-12-18(17)23/h1-6,11,18,21H,7-10,12H2,(H,22,24)/t18-/m0/s1
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274n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360654
PNG
((R)-3-ethyl-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES CCc1n[nH]c(C(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)c1C
Show InChI InChI=1S/C19H25N5O/c1-3-16-12(2)18(23-22-16)19(25)21-14-4-5-15-13(10-14)6-8-24-9-7-20-11-17(15)24/h4-5,10,17,20H,3,6-9,11H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1
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288n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360640
PNG
((11bR)-9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C14H20N2/c1-2-11-3-4-13-12(9-11)5-7-16-8-6-15-10-14(13)16/h3-4,9,14-15H,2,5-8,10H2,1H3/t14-/m0/s1
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288n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360641
PNG
((11bR)-9-methyl-2,3,4,6,7,11b-hexahydro-1H-pyrazin...)
Show SMILES Cc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)4-6-15-7-5-14-9-13(12)15/h2-3,8,13-14H,4-7,9H2,1H3/t13-/m0/s1
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290n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360658
PNG
((11bR)-N-(6-methoxy-3-pyridyl)-2,3,4,6,7,11b-hexah...)
Show SMILES COc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C19H22N4O2/c1-25-18-5-3-15(11-21-18)22-19(24)14-2-4-16-13(10-14)6-8-23-9-7-20-12-17(16)23/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,22,24)/t17-/m0/s1
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299n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360659
PNG
((11bR)-N-(2-chloropyrimidin-5-yl)-2,3,4,6,7,11b-he...)
Show SMILES Clc1ncc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18ClN5O/c18-17-20-8-13(9-21-17)22-16(24)12-1-2-14-11(7-12)3-5-23-6-4-19-10-15(14)23/h1-2,7-9,15,19H,3-6,10H2,(H,22,24)/t15-/m0/s1
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309n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360641
PNG
((11bR)-9-methyl-2,3,4,6,7,11b-hexahydro-1H-pyrazin...)
Show SMILES Cc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)4-6-15-7-5-14-9-13(12)15/h2-3,8,13-14H,4-7,9H2,1H3/t13-/m0/s1
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421n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360645
PNG
(N-[(11bR)-8-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyra...)
Show SMILES Fc1c(NC(=O)c2ccnc(c2)C(F)(F)F)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C19H18F4N4O/c20-17-13-4-7-27-8-6-24-10-15(27)12(13)1-2-14(17)26-18(28)11-3-5-25-16(9-11)19(21,22)23/h1-3,5,9,15,24H,4,6-8,10H2,(H,26,28)/t15-/m0/s1
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444n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360636
PNG
((11bR)-N-(2,6-dimethylpyrimidin-4-yl)-2,3,4,6,7,11...)
Show SMILES Cc1cc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)nc(C)n1
Show InChI InChI=1S/C18H23N5/c1-12-9-18(21-13(2)20-12)22-15-3-4-16-14(10-15)5-7-23-8-6-19-11-17(16)23/h3-4,9-10,17,19H,5-8,11H2,1-2H3,(H,20,21,22)/t17-/m0/s1
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457n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360635
PNG
((11bR)-N-pyrimidin-2-yl-2,3,4,6,7,11b-hexahydro-1H...)
Show SMILES C1CN2CCc3cc(Nc4ncccn4)ccc3[C@@H]2CN1
Show InChI InChI=1S/C16H19N5/c1-5-18-16(19-6-1)20-13-2-3-14-12(10-13)4-8-21-9-7-17-11-15(14)21/h1-3,5-6,10,15,17H,4,7-9,11H2,(H,18,19,20)/t15-/m0/s1
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537n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360630
PNG
((11bR)-10-fluoro-N-[5-(trifluoromethyl)pyrimidin-2...)
Show SMILES Fc1cc2[C@@H]3CNCCN3CCc2cc1Nc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H17F4N5/c18-13-6-12-10(1-3-26-4-2-22-9-15(12)26)5-14(13)25-16-23-7-11(8-24-16)17(19,20)21/h5-8,15,22H,1-4,9H2,(H,23,24,25)/t15-/m0/s1
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623n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360655
PNG
((11bR)-N-(6-chloro-3-pyridyl)-2,3,4,6,7,11b-hexahy...)
Show SMILES Clc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C18H19ClN4O/c19-17-4-2-14(10-21-17)22-18(24)13-1-3-15-12(9-13)5-7-23-8-6-20-11-16(15)23/h1-4,9-10,16,20H,5-8,11H2,(H,22,24)/t16-/m0/s1
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682n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360642
PNG
((11bR)-9-cyclopropyl-2,3,4,6,7,11b-hexahydro-1H-py...)
Show SMILES C1CC1c1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C15H20N2/c1-2-11(1)12-3-4-14-13(9-12)5-7-17-8-6-16-10-15(14)17/h3-4,9,11,15-16H,1-2,5-8,10H2/t15-/m0/s1
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815n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360653
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Cc1nsc(Nc2ccc3[C@@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C15H19N5S/c1-10-17-15(21-19-10)18-12-2-3-13-11(8-12)4-6-20-7-5-16-9-14(13)20/h2-3,8,14,16H,4-7,9H2,1H3,(H,17,18,19)/t14-/m0/s1
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826n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360644
PNG
((11bS)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Fc1c(Nc2cc(Cl)nc(n2)C(F)(F)F)ccc2[C@H]3CNCCN3CCc12
Show InChI InChI=1S/C17H16ClF4N5/c18-13-7-14(26-16(25-13)17(20,21)22)24-11-2-1-9-10(15(11)19)3-5-27-6-4-23-8-12(9)27/h1-2,7,12,23H,3-6,8H2,(H,24,25,26)/t12-/m1/s1
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834n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360652
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES CC(C)c1cc(C(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)n(C)n1
Show InChI InChI=1S/C20H27N5O/c1-13(2)17-11-18(24(3)23-17)20(26)22-15-4-5-16-14(10-15)6-8-25-9-7-21-12-19(16)25/h4-5,10-11,13,19,21H,6-9,12H2,1-3H3,(H,22,26)/t19-/m0/s1
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869n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360624
PNG
((11bS)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc3[C@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)16-22-5-3-15(24-16)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m1/s1
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904n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360652
PNG
((R)-N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES CC(C)c1cc(C(=O)Nc2ccc3[C@@H]4CNCCN4CCc3c2)n(C)n1
Show InChI InChI=1S/C20H27N5O/c1-13(2)17-11-18(24(3)23-17)20(26)22-15-4-5-16-14(10-15)6-8-25-9-7-21-12-19(16)25/h4-5,10-11,13,19,21H,6-9,12H2,1-3H3,(H,22,26)/t19-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360660
PNG
((11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C12H17N3/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8,13H2/t12-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360624
PNG
((11bS)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc3[C@H]4CNCCN4CCc3c2)n1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)16-22-5-3-15(24-16)23-12-1-2-13-11(9-12)4-7-25-8-6-21-10-14(13)25/h1-3,5,9,14,21H,4,6-8,10H2,(H,22,23,24)/t14-/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360629
PNG
(N-[(11bR)-10-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyr...)
Show SMILES Fc1cc2[C@@H]3CNCCN3CCc2cc1NC(=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N4O/c20-14-9-13-11(2-5-27-6-4-24-10-16(13)27)7-15(14)26-18(28)12-1-3-25-17(8-12)19(21,22)23/h1,3,7-9,16,24H,2,4-6,10H2,(H,26,28)/t16-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360658
PNG
((11bR)-N-(6-methoxy-3-pyridyl)-2,3,4,6,7,11b-hexah...)
Show SMILES COc1ccc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C19H22N4O2/c1-25-18-5-3-15(11-21-18)22-19(24)14-2-4-16-13(10-14)6-8-23-9-7-20-12-17(16)23/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,22,24)/t17-/m0/s1
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>1.50E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360660
PNG
((11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]i...)
Show SMILES Nc1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C12H17N3/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8,13H2/t12-/m0/s1
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>1.50E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360659
PNG
((11bR)-N-(2-chloropyrimidin-5-yl)-2,3,4,6,7,11b-he...)
Show SMILES Clc1ncc(NC(=O)c2ccc3[C@@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18ClN5O/c18-17-20-8-13(9-21-17)22-16(24)12-1-2-14-11(7-12)3-5-23-6-4-19-10-15(14)23/h1-2,7-9,15,19H,3-6,10H2,(H,22,24)/t15-/m0/s1
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>1.50E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360644
PNG
((11bS)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-...)
Show SMILES Fc1c(Nc2cc(Cl)nc(n2)C(F)(F)F)ccc2[C@H]3CNCCN3CCc12
Show InChI InChI=1S/C17H16ClF4N5/c18-13-7-14(26-16(25-13)17(20,21)22)24-11-2-1-9-10(15(11)19)3-5-27-6-4-23-8-12(9)27/h1-2,7,12,23H,3-6,8H2,(H,24,25,26)/t12-/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM360642
PNG
((11bR)-9-cyclopropyl-2,3,4,6,7,11b-hexahydro-1H-py...)
Show SMILES C1CC1c1ccc2[C@@H]3CNCCN3CCc2c1
Show InChI InChI=1S/C15H20N2/c1-2-11(1)12-3-4-14-13(9-12)5-7-17-8-6-16-10-15(14)17/h3-4,9,11,15-16H,1-2,5-8,10H2/t15-/m0/s1
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1.82E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360625
PNG
((11bS)-N-[5-(trifluoromethyl)pyrazin-2-yl]-2,3,4,6...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[C@H]4CNCCN4CCc3c2)cn1
Show InChI InChI=1S/C17H18F3N5/c18-17(19,20)15-9-23-16(10-22-15)24-12-1-2-13-11(7-12)3-5-25-6-4-21-8-14(13)25/h1-2,7,9-10,14,21H,3-6,8H2,(H,23,24)/t14-/m1/s1
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1.98E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360635
PNG
((11bR)-N-pyrimidin-2-yl-2,3,4,6,7,11b-hexahydro-1H...)
Show SMILES C1CN2CCc3cc(Nc4ncccn4)ccc3[C@@H]2CN1
Show InChI InChI=1S/C16H19N5/c1-5-18-16(19-6-1)20-13-2-3-14-12(10-13)4-8-21-9-7-17-11-15(14)21/h1-3,5-6,10,15,17H,4,7-9,11H2,(H,18,19,20)/t15-/m0/s1
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3.92E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM360645
PNG
(N-[(11bR)-8-fluoro-2,3,4,6,7,11b-hexahydro-1H-pyra...)
Show SMILES Fc1c(NC(=O)c2ccnc(c2)C(F)(F)F)ccc2[C@@H]3CNCCN3CCc12
Show InChI InChI=1S/C19H18F4N4O/c20-17-13-4-7-27-8-6-24-10-15(27)12(13)1-2-14(17)26-18(28)11-3-5-25-16(9-11)19(21,22)23/h1-3,5,9,15,24H,4,6-8,10H2,(H,26,28)/t15-/m0/s1
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7.63E+3n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ...


US Patent US9828374 (2017)

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