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Patent code US9416127

Compile Data Set for Download or QSAR
Found 72 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


(Rattus norvegicus (Rat))		BDBM240677
PNG
(US9416127, 14 | US9416127, 15)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-7-5-15(6-8-16)28-25-11-17(27-28)19(29)26-14-3-1-13(2-4-14)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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US Patent
 0.100n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240670
PNG
(US9416127, 7)
Show SMILES Cc1nn(nc1C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m0/s1
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 0.200n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240666
PNG
(US9416127, 16 | US9416127, 3)
Show SMILES FC(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
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 0.200n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240677
PNG
(US9416127, 14 | US9416127, 15)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-7-5-15(6-8-16)28-25-11-17(27-28)19(29)26-14-3-1-13(2-4-14)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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 0.200 -57.6n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240669
PNG
(US9416127, 6)
Show SMILES Clc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18ClN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 0.200n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240675
PNG
(US9416127, 12)
Show SMILES Clc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18ClN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 0.200n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240675
PNG
(US9416127, 12)
Show SMILES Clc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18ClN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 0.200 -57.6n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240673
PNG
(US9416127, 10)
Show SMILES FC(F)(F)c1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-7-16(8-4-14)28-25-11-17(27-28)19(29)26-15-5-1-13(2-6-15)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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 0.200n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240676
PNG
(US9416127, 13)
Show SMILES FC(F)(F)c1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)14-2-1-3-16(10-14)28-25-11-17(27-28)19(29)26-15-6-4-13(5-7-15)18-12-24-8-9-30-18/h1-7,10-11,18,24H,8-9,12H2,(H,26,29)/t18-/m1/s1
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 0.300 -56.5n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240668
PNG
(US9416127, 11 | US9416127, 5)
Show SMILES Fc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 0.300 -56.5n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240666
PNG
(US9416127, 16 | US9416127, 3)
Show SMILES FC(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
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 0.300 -56.5n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240667
PNG
(US9416127, 4 | US9416127, 9)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 0.400 -55.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240673
PNG
(US9416127, 10)
Show SMILES FC(F)(F)c1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-7-16(8-4-14)28-25-11-17(27-28)19(29)26-15-5-1-13(2-6-15)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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 0.400 -55.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240668
PNG
(US9416127, 11 | US9416127, 5)
Show SMILES Fc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 0.400n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240677
PNG
(US9416127, 14 | US9416127, 15)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-7-5-15(6-8-16)28-25-11-17(27-28)19(29)26-14-3-1-13(2-4-14)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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 0.400 -55.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240669
PNG
(US9416127, 6)
Show SMILES Clc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18ClN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 0.400 -55.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240686
PNG
(US9416127, 23)
Show SMILES Cc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-22-12-18(24-25)20(26)23-16-7-5-15(6-8-16)19-13-21-9-10-27-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
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 0.5n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240667
PNG
(US9416127, 4 | US9416127, 9)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 0.600n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240676
PNG
(US9416127, 13)
Show SMILES FC(F)(F)c1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)14-2-1-3-16(10-14)28-25-11-17(27-28)19(29)26-15-6-4-13(5-7-15)18-12-24-8-9-30-18/h1-7,10-11,18,24H,8-9,12H2,(H,26,29)/t18-/m1/s1
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 0.600n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240692
PNG
(US9416127, 29)
Show SMILES FC(F)Oc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-3-1-2-15(10-16)27-12-17(25-26-27)19(28)24-14-6-4-13(5-7-14)18-11-23-8-9-29-18/h1-7,10,12,18,20,23H,8-9,11H2,(H,24,28)/t18-/m1/s1
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 0.600n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240681
PNG
(US9416127, 18)
Show SMILES Cc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-2-8-17(9-3-14)25-22-12-18(24-25)20(26)23-16-6-4-15(5-7-16)19-13-21-10-11-27-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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 0.700 -54.4n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240671
PNG
(US9416127, 8)
Show SMILES O=C(Nc1ccc(cc1)[C@@H]1CNCCO1)c1cnn(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1
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 0.800n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240665
PNG
(US9416127, 2)
Show SMILES Cc1nn(nc1C(=O)Nc1ccc(cc1)[C@H]1CNCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1
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 0.800n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240685
PNG
(US9416127, 22)
Show SMILES CCOc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-23-13-19(25-26)21(27)24-16-5-3-15(4-6-16)20-14-22-11-12-29-20/h3-10,13,20,22H,2,11-12,14H2,1H3,(H,24,27)/t20-/m1/s1
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 0.800 -54.0n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240692
PNG
(US9416127, 29)
Show SMILES FC(F)Oc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-3-1-2-15(10-16)27-12-17(25-26-27)19(28)24-14-6-4-13(5-7-14)18-11-23-8-9-29-18/h1-7,10,12,18,20,23H,8-9,11H2,(H,24,28)/t18-/m1/s1
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 0.900 -53.7n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240685
PNG
(US9416127, 22)
Show SMILES CCOc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-23-13-19(25-26)21(27)24-16-5-3-15(4-6-16)20-14-22-11-12-29-20/h3-10,13,20,22H,2,11-12,14H2,1H3,(H,24,27)/t20-/m1/s1
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 1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240697
PNG
(US9416127, 34)
Show SMILES O=C(Nc1ccc(cc1)C1CCNC1)c1cnn(n1)-c1ccccc1 |w:9.9|
Show InChI InChI=1S/C19H19N5O/c25-19(18-13-21-24(23-18)17-4-2-1-3-5-17)22-16-8-6-14(7-9-16)15-10-11-20-12-15/h1-9,13,15,20H,10-12H2,(H,22,25)
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 1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240689
PNG
(US9416127, 26)
Show SMILES CCOc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-5-3-4-17(12-18)26-14-19(24-25-26)21(27)23-16-8-6-15(7-9-16)20-13-22-10-11-29-20/h3-9,12,14,20,22H,2,10-11,13H2,1H3,(H,23,27)/t20-/m1/s1
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 1.10 -53.2n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240686
PNG
(US9416127, 23)
Show SMILES Cc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-22-12-18(24-25)20(26)23-16-7-5-15(6-8-16)19-13-21-9-10-27-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
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 1.10 -53.2n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240664
PNG
(US9416127, 1)
Show SMILES O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1cnn(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m1/s1
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 1.20 -53.0n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240680
PNG
(US9416127, 17)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-2-8-17(9-3-14)25-13-18(23-24-25)20(26)22-16-6-4-15(5-7-16)19-12-21-10-11-27-19/h2-9,13,19,21H,10-12H2,1H3,(H,22,26)/t19-/m1/s1
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 1.30 -52.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240687
PNG
(US9416127, 24)
Show SMILES Cc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-13-18(23-24-25)20(26)22-16-7-5-15(6-8-16)19-12-21-9-10-27-19/h2-8,11,13,19,21H,9-10,12H2,1H3,(H,22,26)/t19-/m1/s1
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 1.30 -52.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240664
PNG
(US9416127, 1)
Show SMILES O=C(Nc1ccc(cc1)[C@H]1CNCCO1)c1cnn(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m1/s1
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 1.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240688
PNG
(US9416127, 25)
Show SMILES COc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-4-2-3-16(11-17)25-13-18(23-24-25)20(26)22-15-7-5-14(6-8-15)19-12-21-9-10-28-19/h2-8,11,13,19,21H,9-10,12H2,1H3,(H,22,26)/t19-/m1/s1
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 1.40 -52.6n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240671
PNG
(US9416127, 8)
Show SMILES O=C(Nc1ccc(cc1)[C@@H]1CNCCO1)c1cnn(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1
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 1.40 -52.6n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240683
PNG
(US9416127, 20)
Show SMILES COc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-8-6-16(7-9-17)25-22-12-18(24-25)20(26)23-15-4-2-14(3-5-15)19-13-21-10-11-28-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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 1.40 -52.6n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240665
PNG
(US9416127, 2)
Show SMILES Cc1nn(nc1C(=O)Nc1ccc(cc1)[C@H]1CNCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1
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 1.5 -52.4n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240666
PNG
(US9416127, 16 | US9416127, 3)
Show SMILES FC(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
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 1.5 -52.4n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240681
PNG
(US9416127, 18)
Show SMILES Cc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-2-8-17(9-3-14)25-22-12-18(24-25)20(26)23-16-6-4-15(5-7-16)19-13-21-10-11-27-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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 1.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240682
PNG
(US9416127, 19)
Show SMILES COc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-8-6-16(7-9-17)25-13-18(23-24-25)20(26)22-15-4-2-14(3-5-15)19-12-21-10-11-28-19/h2-9,13,19,21H,10-12H2,1H3,(H,22,26)/t19-/m1/s1
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 1.60 -52.2n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240698
PNG
(US9416127, 35)
Show SMILES O=C(Nc1ccc(cc1)C1CCCNC1)c1cnn(n1)-c1ccccc1 |w:9.9|
Show InChI InChI=1S/C20H21N5O/c26-20(19-14-22-25(24-19)18-6-2-1-3-7-18)23-17-10-8-15(9-11-17)16-5-4-12-21-13-16/h1-3,6-11,14,16,21H,4-5,12-13H2,(H,23,26)
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 1.70n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240695
PNG
(US9416127, 32)
Show SMILES FC(F)Oc1ccc(cc1)-n1cnc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-12-24-18(26-27)19(28)25-14-3-1-13(2-4-14)17-11-23-9-10-29-17/h1-8,12,17,20,23H,9-11H2,(H,25,28)/t17-/m1/s1
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 1.80 -51.9n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240684
PNG
(US9416127, 21)
Show SMILES CCOc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-14-19(24-25-26)21(27)23-16-5-3-15(4-6-16)20-13-22-11-12-29-20/h3-10,14,20,22H,2,11-13H2,1H3,(H,23,27)/t20-/m1/s1
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 1.80 -51.9n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240698
PNG
(US9416127, 35)
Show SMILES O=C(Nc1ccc(cc1)C1CCCNC1)c1cnn(n1)-c1ccccc1 |w:9.9|
Show InChI InChI=1S/C20H21N5O/c26-20(19-14-22-25(24-19)18-6-2-1-3-7-18)23-17-10-8-15(9-11-17)16-5-4-12-21-13-16/h1-3,6-11,14,16,21H,4-5,12-13H2,(H,23,26)
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 1.90 -51.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240683
PNG
(US9416127, 20)
Show SMILES COc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-8-6-16(7-9-17)25-22-12-18(24-25)20(26)23-15-4-2-14(3-5-15)19-13-21-10-11-28-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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 1.90n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240667
PNG
(US9416127, 4 | US9416127, 9)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 2.30 -51.3n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240670
PNG
(US9416127, 7)
Show SMILES Cc1nn(nc1C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m0/s1
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 2.70 -50.9n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240668
PNG
(US9416127, 11 | US9416127, 5)
Show SMILES Fc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 2.90 -50.7n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240677
PNG
(US9416127, 14 | US9416127, 15)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-7-5-15(6-8-16)28-25-11-17(27-28)19(29)26-14-3-1-13(2-4-14)18-12-24-9-10-30-18/h1-8,11,18,24H,9-10,12H2,(H,26,29)/t18-/m1/s1
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 3.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240693
PNG
(US9416127, 30)
Show SMILES COc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-4-2-3-16(11-17)25-22-12-18(24-25)20(26)23-15-7-5-14(6-8-15)19-13-21-9-10-28-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
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 3.20 -50.4n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240689
PNG
(US9416127, 26)
Show SMILES CCOc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-5-3-4-17(12-18)26-14-19(24-25-26)21(27)23-16-8-6-15(7-9-16)20-13-22-10-11-29-20/h3-9,12,14,20,22H,2,10-11,13H2,1H3,(H,23,27)/t20-/m1/s1
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 3.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240697
PNG
(US9416127, 34)
Show SMILES O=C(Nc1ccc(cc1)C1CCNC1)c1cnn(n1)-c1ccccc1 |w:9.9|
Show InChI InChI=1S/C19H19N5O/c25-19(18-13-21-24(23-18)17-4-2-1-3-5-17)22-16-8-6-14(7-9-16)15-10-11-20-12-15/h1-9,13,15,20H,10-12H2,(H,22,25)
PDB

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 3.20 -50.4n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240691
PNG
(US9416127, 28)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-3-1-2-15(10-16)28-25-11-17(27-28)19(29)26-14-6-4-13(5-7-14)18-12-24-8-9-30-18/h1-7,10-11,18,24H,8-9,12H2,(H,26,29)/t18-/m1/s1
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 3.40 -50.3n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240699
PNG
(US9416127, 36)
Show SMILES Brc1ccc(nc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C18H17BrN6O2/c19-13-3-6-17(21-9-13)25-11-15(23-24-25)18(26)22-14-4-1-12(2-5-14)16-10-20-7-8-27-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,26)/t16-/m1/s1
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 4.60 -49.5n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240696
PNG
(US9416127, 33)
Show SMILES FC(F)Oc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)C1CCNC1 |w:24.26|
Show InChI InChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28)
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 4.90 -49.3n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240690
PNG
(US9416127, 27)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-3-1-2-15(10-16)28-12-17(26-27-28)19(29)25-14-6-4-13(5-7-14)18-11-24-8-9-30-18/h1-7,10,12,18,24H,8-9,11H2,(H,25,29)/t18-/m1/s1
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 6.80 -48.5n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240687
PNG
(US9416127, 24)
Show SMILES Cc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-13-18(23-24-25)20(26)22-16-7-5-15(6-8-16)19-12-21-9-10-27-19/h2-8,11,13,19,21H,9-10,12H2,1H3,(H,22,26)/t19-/m1/s1
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 6.90n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240693
PNG
(US9416127, 30)
Show SMILES COc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-4-2-3-16(11-17)25-22-12-18(24-25)20(26)23-15-7-5-14(6-8-15)19-13-21-9-10-28-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
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 8.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240688
PNG
(US9416127, 25)
Show SMILES COc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-4-2-3-16(11-17)25-13-18(23-24-25)20(26)22-15-7-5-14(6-8-15)19-12-21-9-10-28-19/h2-8,11,13,19,21H,9-10,12H2,1H3,(H,22,26)/t19-/m1/s1
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 9.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM240694
PNG
(US9416127, 31)
Show SMILES CCOc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-5-3-4-17(12-18)26-23-13-19(25-26)21(27)24-16-8-6-15(7-9-16)20-14-22-10-11-29-20/h3-9,12-13,20,22H,2,10-11,14H2,1H3,(H,24,27)/t20-/m1/s1
PDB

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 13 -46.8n/an/an/an/an/a7.437



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%, h...

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240690
PNG
(US9416127, 27)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-3-1-2-15(10-16)28-12-17(26-27-28)19(29)25-14-6-4-13(5-7-14)18-11-24-8-9-30-18/h1-7,10,12,18,24H,8-9,11H2,(H,25,29)/t18-/m1/s1
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 15.4n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240691
PNG
(US9416127, 28)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-3-1-2-15(10-16)28-25-11-17(27-28)19(29)26-14-6-4-13(5-7-14)18-12-24-8-9-30-18/h1-7,10-11,18,24H,8-9,12H2,(H,26,29)/t18-/m1/s1
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 15.6n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240680
PNG
(US9416127, 17)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-14-2-8-17(9-3-14)25-13-18(23-24-25)20(26)22-16-6-4-15(5-7-16)19-12-21-10-11-27-19/h2-9,13,19,21H,10-12H2,1H3,(H,22,26)/t19-/m1/s1
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 17.4n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240696
PNG
(US9416127, 33)
Show SMILES FC(F)Oc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)C1CCNC1 |w:24.26|
Show InChI InChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28)
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 18.9n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240668
PNG
(US9416127, 11 | US9416127, 5)
Show SMILES Fc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
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 21.1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240666
PNG
(US9416127, 16 | US9416127, 3)
Show SMILES FC(F)Oc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
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 26.8n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240684
PNG
(US9416127, 21)
Show SMILES CCOc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-14-19(24-25-26)21(27)23-16-5-3-15(4-6-16)20-13-22-11-12-29-20/h3-10,14,20,22H,2,11-13H2,1H3,(H,23,27)/t20-/m1/s1
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 29.3n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240699
PNG
(US9416127, 36)
Show SMILES Brc1ccc(nc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C18H17BrN6O2/c19-13-3-6-17(21-9-13)25-11-15(23-24-25)18(26)22-14-4-1-12(2-5-14)16-10-20-7-8-27-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,26)/t16-/m1/s1
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 30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240667
PNG
(US9416127, 4 | US9416127, 9)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H18FN5O2/c20-14-3-7-16(8-4-14)25-22-11-17(24-25)19(26)23-15-5-1-13(2-6-15)18-12-21-9-10-27-18/h1-8,11,18,21H,9-10,12H2,(H,23,26)/t18-/m1/s1
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 34.2n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240682
PNG
(US9416127, 19)
Show SMILES COc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-8-6-16(7-9-17)25-13-18(23-24-25)20(26)22-15-4-2-14(3-5-15)19-12-21-10-11-28-19/h2-9,13,19,21H,10-12H2,1H3,(H,22,26)/t19-/m1/s1
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 38.8n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240695
PNG
(US9416127, 32)
Show SMILES FC(F)Oc1ccc(cc1)-n1cnc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-12-24-18(26-27)19(28)25-14-3-1-13(2-4-14)17-11-23-9-10-29-17/h1-8,12,17,20,23H,9-11H2,(H,25,28)/t17-/m1/s1
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 45n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM240694
PNG
(US9416127, 31)
Show SMILES CCOc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-5-3-4-17(12-18)26-23-13-19(25-26)21(27)24-16-8-6-15(7-9-16)20-14-22-10-11-29-20/h3-9,12-13,20,22H,2,10-11,14H2,1H3,(H,24,27)/t20-/m1/s1
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 107n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9416127 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QK8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%