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Patent code US9790230

Compile Data Set for Download or QSAR

Found 212 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))
BDBM348693
PNG
(N-(4-Chlorophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348694
PNG
(N-(4-Bromophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicyclo...)
Show SMILES Brc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C18H17BrN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348696
PNG
(N-(4-Ethoxyphenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-7-15(8-10-16)22-20(23)14-5-3-13(4-6-14)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348697
PNG
(4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C19H17F3N2O2/c20-19(21,22)13-5-7-14(8-6-13)24-18(25)12-3-1-11(2-4-12)17-16-9-15(26-17)10-23-16/h1-8,15-17,23H,9-10H2,(H,24,25)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Rattus norvegicus (Rat))
BDBM348727
PNG
(2-Isopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2....)
Show SMILES CC(C)N\C(=C/C(=N)OCC(F)(F)F)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C20H25F3N4O3/c1-11(2)26-16(8-17(24)29-10-20(21,22)23)19(28)27-13-5-3-12(4-6-13)18-15-7-14(30-18)9-25-15/h3-6,8,11,14-15,18,24-26H,7,9-10H2,1-2H3,(H,27,28)/b16-8-,24-17?/t14-,15-,18+/m1/s1
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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 US9790230 (2017)

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


(Rattus norvegicus (Rat))
BDBM348641
PNG
(1-[3-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)[C@@H]2O[C@H]3CN[C@@H]2C3)cc1
Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)12-4-6-13(7-5-12)24-18(26)25-14-3-1-2-11(8-14)17-16-9-15(27-17)10-23-16/h1-8,15-17,23H,9-10H2,(H2,24,25,26)/t15-,16-,17+/m1/s1
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n/an/a 2.90n/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 US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348706
PNG
(4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H23ClN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348662
PNG
(5-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(Nc2ccc(cc2)[C@@H]2O[C@H]3CN[C@@H]2C3)nc1
Show InChI InChI=1S/C16H16ClN3O/c17-11-3-6-15(19-8-11)20-12-4-1-10(2-5-12)16-14-7-13(21-16)9-18-14/h1-6,8,13-14,16,18H,7,9H2,(H,19,20)/t13-,14-,16+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348698
PNG
(N-(6-Chloro-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1
Show InChI InChI=1S/C17H16ClN3O2/c18-15-6-5-12(8-20-15)21-17(22)11-3-1-10(2-4-11)16-14-7-13(23-16)9-19-14/h1-6,8,13-14,16,19H,7,9H2,(H,21,22)/t13-,14-,16+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348702
PNG
(N-[(4-Chlorophenyl)methyl]-4-[(1S,3R,4S)-2-oxa-5-a...)
Show SMILES Clc1ccc(CNC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C19H19ClN2O2/c20-15-7-1-12(2-8-15)10-22-19(23)14-5-3-13(4-6-14)18-17-9-16(24-18)11-21-17/h1-8,16-18,21H,9-11H2,(H,22,23)/t16-,17-,18+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348730
PNG
(3-Butyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...)
Show SMILES CCCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H25FN4O2/c1-2-3-4-14(21)16(20)17(22)19(25)24-12-7-5-11(6-8-12)18-15-9-13(26-18)10-23-15/h5-8,13,15,18,21,23H,2-4,9-10,22H2,1H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348701
PNG
(4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)15-7-1-12(2-8-15)10-25-19(26)14-5-3-13(4-6-14)18-17-9-16(27-18)11-24-17/h1-8,16-18,24H,9-11H2,(H,25,26)/t16-,17-,18+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348689
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348695
PNG
(N-(4-Fluorophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...)
Show SMILES Fc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348691
PNG
((1S,3R,4S)-3-(4-Bromophenyl)-2-oxa-5-azabicyclo[2....)
Show SMILES Brc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C11H12BrNO/c12-8-3-1-7(2-4-8)11-10-5-9(14-11)6-13-10/h1-4,9-11,13H,5-6H2/t9-,10-,11+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348720
PNG
(4-Chloro-3-cyclopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES N\C(C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)=C(\Cl)C(=N)C1CC1
Show InChI InChI=1S/C18H21ClN4O2/c19-14(15(20)9-1-2-9)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,1-2,7-8,21H2,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348671
PNG
(1-(4-Chlorophenyl)-3-[4-[(1S,3R,4S)-2-oxa-5-azabic...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C18H18ClN3O2/c19-12-3-7-14(8-4-12)22-18(23)21-13-5-1-11(2-6-13)17-16-9-15(24-17)10-20-16/h1-8,15-17,20H,9-10H2,(H2,21,22,23)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348737
PNG
(4-Bromo-3-ethyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicycl...)
Show SMILES CCC(=N)C(\Br)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C17H21BrN4O2/c1-2-12(19)14(18)15(20)17(23)22-10-5-3-9(4-6-10)16-13-7-11(24-16)8-21-13/h3-6,11,13,16,19,21H,2,7-8,20H2,1H3,(H,22,23)/b15-14+,19-12?/t11-,13-,16+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348649
PNG
(N-[4-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@@H]2O[C@H]3CN[C@@H]2C3)nc1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348658
PNG
(5-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1
Show InChI InChI=1S/C16H16ClN3O/c17-11-3-6-15(19-8-11)20-12-4-1-10(2-5-12)16-14-7-13(21-16)9-18-14/h1-6,8,13-14,16,18H,7,9H2,(H,19,20)/t13-,14-,16+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348648
PNG
(3-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H17ClN2O2/c19-13-3-1-2-12(8-13)18(22)21-14-6-4-11(5-7-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348683
PNG
(4-Chloro-3-ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicy...)
Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348731
PNG
(3-Butyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]...)
Show SMILES CCCCC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-13(20)9-16(21)19(24)23-14-7-5-12(6-8-14)18-17-10-15(25-18)11-22-17/h5-9,15,17-18,20,22H,2-4,10-11,21H2,1H3,(H,23,24)/b16-9-,20-13?/t15-,17-,18+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348716
PNG
(4-Fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H23FN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348690
PNG
(4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...)
Show SMILES FC(F)(F)Oc1ccc(CNc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C19H19F3N2O2/c20-19(21,22)26-15-7-1-12(2-8-15)10-23-14-5-3-13(4-6-14)18-17-9-16(25-18)11-24-17/h1-8,16-18,23-24H,9-11H2/t16-,17-,18+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348666
PNG
(4-Ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-5-14(6-10-16)20(23)22-15-7-3-13(4-8-15)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348645
PNG
(4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348687
PNG
(4-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C18H23ClN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348646
PNG
(3-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C18H17ClN2O2/c19-13-3-1-2-12(8-13)18(22)21-14-6-4-11(5-7-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348714
PNG
(4-Chloro-3-ethyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...)
Show SMILES CCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C17H21ClN4O2/c1-2-12(19)14(18)15(20)17(23)22-10-5-3-9(4-6-10)16-13-7-11(24-16)8-21-13/h3-6,11,13,16,19,21H,2,7-8,20H2,1H3,(H,22,23)/b15-14+,19-12?/t11-,13-,16+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348715
PNG
(3-Cyclopropyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES N\C(C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)=C(\F)C(=N)C1CC1
Show InChI InChI=1S/C18H21FN4O2/c19-14(15(20)9-1-2-9)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,1-2,7-8,21H2,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348700
PNG
(N-(6-Ethoxy-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1
Show InChI InChI=1S/C19H21N3O3/c1-2-24-17-8-7-14(10-21-17)22-19(23)13-5-3-12(4-6-13)18-16-9-15(25-18)11-20-16/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23)/t15-,16-,18+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348652
PNG
(4-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Rattus norvegicus (Rat))
BDBM348691
PNG
((1S,3R,4S)-3-(4-Bromophenyl)-2-oxa-5-azabicyclo[2....)
Show SMILES Brc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C11H12BrNO/c12-8-3-1-7(2-4-8)11-10-5-9(14-11)6-13-10/h1-4,9-11,13H,5-6H2/t9-,10-,11+/m0/s1
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n/an/a 5.20n/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 US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348709
PNG
(N-[4-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(nc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H16F3N3O2/c19-18(20,21)11-3-6-14(22-8-11)17(25)24-12-4-1-10(2-5-12)16-15-7-13(26-16)9-23-15/h1-6,8,13,15-16,23H,7,9H2,(H,24,25)/t13-,15-,16+/m1/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348739
PNG
(3-Isobutyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2...)
Show SMILES CC(C)CC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H26N4O2/c1-11(2)7-13(20)8-16(21)19(24)23-14-5-3-12(4-6-14)18-17-9-15(25-18)10-22-17/h3-6,8,11,15,17-18,20,22H,7,9-10,21H2,1-2H3,(H,23,24)/b16-8-,20-13?/t15-,17-,18+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348738
PNG
(4-Fluoro-3-isobutyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabi...)
Show SMILES CC(C)CC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H25FN4O2/c1-10(2)7-14(21)16(20)17(22)19(25)24-12-5-3-11(4-6-12)18-15-8-13(26-18)9-23-15/h3-6,10,13,15,18,21,23H,7-9,22H2,1-2H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348717
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1ccnc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-14-5-6-21-16(24-14)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1
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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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348670
PNG
(4-(Cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-az...)
Show SMILES O=C(Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348651
PNG
(6-Ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCOc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H21N3O3/c1-2-24-17-8-5-13(10-21-17)19(23)22-14-6-3-12(4-7-14)18-16-9-15(25-18)11-20-16/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23)/t15-,16-,18+/m1/s1
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n/an/a 6.30n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348655
PNG
(4-Ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2
Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-5-14(6-10-16)20(23)22-15-7-3-13(4-8-15)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348707
PNG
(3-Cyclopropyl-4-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES C\C(C(=N)C1CC1)=C(\N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C19H24N4O2/c1-10(16(20)11-2-3-11)17(21)19(24)23-13-6-4-12(5-7-13)18-15-8-14(25-18)9-22-15/h4-7,11,14-15,18,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b17-10-,20-16?/t14-,15-,18+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348650
PNG
(4-(Cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-az...)
Show SMILES O=C(Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m1/s1
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n/an/a 6.70n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348736
PNG
(4-Chloro-3-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicy...)
Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348677
PNG
(4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...)
Show SMILES FC(F)(F)c1ccc(CNc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1
Show InChI InChI=1S/C19H19F3N2O/c20-19(21,22)14-5-1-12(2-6-14)10-23-15-7-3-13(4-8-15)18-17-9-16(25-18)11-24-17/h1-8,16-18,23-24H,9-11H2/t16-,17-,18+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348657
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m0/s1
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n/an/a 7.10n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348660
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1
Show InChI InChI=1S/C16H15F3N4O/c17-16(18,19)13-7-22-14(8-21-13)23-10-3-1-9(2-4-10)15-12-5-11(24-15)6-20-12/h1-4,7-8,11-12,15,20H,5-6H2,(H,22,23)/t11-,12-,15+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348718
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)COc1nccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-16-21-6-5-14(24-16)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348699
PNG
(N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...)
Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1
Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)15-6-5-12(8-22-15)23-11-3-1-10(2-4-11)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21,23H,7,9H2/t13-,14-,16+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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


(Mus musculus (Mouse))
BDBM348740
PNG
(4-Chloro-3-isopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-azab...)
Show SMILES CC(C)C(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2
Show InChI InChI=1S/C18H23ClN4O2/c1-9(2)15(20)14(19)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,7-8,21H2,1-2H3,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/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 in...


US Patent US9790230 (2017)

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