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Patent code US10023559

Compile Data Set for Download or QSAR

Found 262 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)


(Rattus norvegicus (Rat))
BDBM283758
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3,5-difluorophenyl...)
Show SMILES CCc1n[nH]c(C(=O)Nc2cc(F)c(C=C3CNC3)c(F)c2)c1C
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0.900n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283759
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3,5-difluorophenyl...)
Show SMILES Fc1cc(NC(=O)c2ccc(Cl)nc2)cc(F)c1C=C1CNC1
Show InChI InChI=1S/C16H12ClF2N3O/c17-15-2-1-10(8-21-15)16(23)22-11-4-13(18)12(14(19)5-11)3-9-6-20-7-9/h1-5,8,20H,6-7H2,(H,22,23)
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1.40n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283780
PNG
(1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-[4-(...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(CC3(F)CNC3)cc2)cc1
Show InChI InChI=1S/C18H17F4N3O/c19-17(10-23-11-17)9-12-1-5-14(6-2-12)24-16(26)25-15-7-3-13(4-8-15)18(20,21)22/h1-8,23H,9-11H2,(H2,24,25,26)
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1.60n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283791
PNG
(1-[4-(azetidin-3-ylidenemethyl)phenyl]-3-[4-(trifl...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(C=C3CNC3)cc2)cc1
Show InChI InChI=1S/C18H16F3N3O/c19-18(20,21)14-3-7-16(8-4-14)24-17(25)23-15-5-1-12(2-6-15)9-13-10-22-11-13/h1-9,22H,10-11H2,(H2,23,24,25)
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1.60n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283793
PNG
(1-[4-(azetidin-3-ylidenemethyl)phenyl]-3-(3-chloro...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(C=C3CNC3)cc2)c1
Show InChI InChI=1S/C17H16ClN3O/c18-14-2-1-3-16(9-14)21-17(22)20-15-6-4-12(5-7-15)8-13-10-19-11-13/h1-9,19H,10-11H2,(H2,20,21,22)
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2.10n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283709
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-3-(4-chlor...)
Show SMILES Clc1c(n[nH]c1C(=O)Nc1ccc(OC2CNC2)cc1)-c1ccc(Cl)cc1
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2.10n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283762
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3,5-difluorophenyl...)
Show SMILES CCc1cc(nc(n1)C(F)(F)F)C(=O)Nc1cc(F)c(C=C2CNC2)c(F)c1
Show InChI InChI=1S/C18H15F5N4O/c1-2-10-6-15(27-17(26-10)18(21,22)23)16(28)25-11-4-13(19)12(14(20)5-11)3-9-7-24-8-9/h3-6,24H,2,7-8H2,1H3,(H,25,28)
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2.40n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283712
PNG
(4-(azetidin-3-yloxy)-N-(4-chloro-3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2ccc(OC3CNC3)cc2)ccc1Cl
Show InChI InChI=1S/C17H14ClF3N2O2/c18-15-6-3-11(7-14(15)17(19,20)21)23-16(24)10-1-4-12(5-2-10)25-13-8-22-9-13/h1-7,13,22H,8-9H2,(H,23,24)
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2.60n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283782
PNG
(1-(3-chlorophenyl)-3-[4-[(3-fluoroazetidin-3-yl)me...)
Show SMILES FC1(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CNC1
Show InChI InChI=1S/C17H17ClFN3O/c18-13-2-1-3-15(8-13)22-16(23)21-14-6-4-12(5-7-14)9-17(19)10-20-11-17/h1-8,20H,9-11H2,(H2,21,22,23)
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2.60n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283784
PNG
(1-[4-(azetidin-3-yloxy)phenyl]-3-(3-chlorophenyl)u...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(OC3CNC3)cc2)c1
Show InChI InChI=1S/C16H16ClN3O2/c17-11-2-1-3-13(8-11)20-16(21)19-12-4-6-14(7-5-12)22-15-9-18-10-15/h1-8,15,18H,9-10H2,(H2,19,20,21)
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3n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283727
PNG
(4-chloro-N-[4-[(3-fluoroazetidin-3-yl)methyl]pheny...)
Show SMILES FC1(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CNC1
Show InChI InChI=1S/C17H16ClFN2O/c18-14-5-3-13(4-6-14)16(22)21-15-7-1-12(2-8-15)9-17(19)10-20-11-17/h1-8,20H,9-11H2,(H,21,22)
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3.5n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283761
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3-fluorophenyl)-6-...)
Show SMILES Fc1cc(NC(=O)c2ccc(Cl)nc2)ccc1C=C1CNC1
Show InChI InChI=1S/C16H13ClFN3O/c17-15-4-2-12(9-20-15)16(22)21-13-3-1-11(14(18)6-13)5-10-7-19-8-10/h1-6,9,19H,7-8H2,(H,21,22)
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3.80n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283788
PNG
(1-[4-(azetidin-3-ylmethyl)phenyl]-3-[4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(CC3CNC3)cc2)cc1
Show InChI InChI=1S/C18H18F3N3O/c19-18(20,21)14-3-7-16(8-4-14)24-17(25)23-15-5-1-12(2-6-15)9-13-10-22-11-13/h1-8,13,22H,9-11H2,(H2,23,24,25)
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4.20n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283763
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3-fluorophenyl)-3-...)
Show SMILES CCc1n[nH]c(C(=O)Nc2ccc(C=C3CNC3)c(F)c2)c1C
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5n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283757
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3,5-difluorophenyl...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)C(=O)Nc1cc(F)c(C=C2CNC2)c(F)c1
Show InChI InChI=1S/C17H13F5N4O/c1-8-2-14(26-16(24-8)17(20,21)22)15(27)25-10-4-12(18)11(13(19)5-10)3-9-6-23-7-9/h2-5,23H,6-7H2,1H3,(H,25,27)
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5.5n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283682
PNG
(N-(4-(azetidin-3-yloxy)phenyl)-2-cyano-6-methoxyis...)
Show SMILES COc1cc(cc(n1)C#N)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C17H16N4O3/c1-23-16-7-11(6-13(8-18)20-16)17(22)21-12-2-4-14(5-3-12)24-15-9-19-10-15/h2-7,15,19H,9-10H2,1H3,(H,21,22)
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5.80n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283730
PNG
(N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-2-(tri...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc(CC2(F)CNC2)cc1
Show InChI InChI=1S/C16H14F4N4O/c17-15(8-21-9-15)5-10-1-3-12(4-2-10)24-13(25)11-6-22-14(23-7-11)16(18,19)20/h1-4,6-7,21H,5,8-9H2,(H,24,25)
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5.90n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283746
PNG
(N-[4-[[(2S)-azetidin-2-yl]methyl]phenyl]-4-chloro-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(C[C@H]2CCN2)cc1
Show InChI InChI=1S/C17H17ClN2O/c18-14-5-3-13(4-6-14)17(21)20-15-7-1-12(2-8-15)11-16-9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283743
PNG
(6 N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-6-me...)
Show SMILES COc1cc(nc(n1)C(F)(F)F)C(=O)Nc1ccc(CC2(F)CNC2)cc1
Show InChI InChI=1S/C17H16F4N4O2/c1-27-13-6-12(24-15(25-13)17(19,20)21)14(26)23-11-4-2-10(3-5-11)7-16(18)8-22-9-16/h2-6,22H,7-9H2,1H3,(H,23,26)
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7.10n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283734
PNG
(N-[4-(azetidin-3-ylidenemethyl)phenyl]-2-(trifluor...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc(C=C2CNC2)cc1
Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)15-21-8-12(9-22-15)14(24)23-13-3-1-10(2-4-13)5-11-6-20-7-11/h1-5,8-9,20H,6-7H2,(H,23,24)
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7.90n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283785
PNG
(1-[4-(azetidin-3-ylsulfanyl)phenyl]-3-[4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(SC3CNC3)cc2)cc1
Show InChI InChI=1S/C17H16F3N3OS/c18-17(19,20)11-1-3-12(4-2-11)22-16(24)23-13-5-7-14(8-6-13)25-15-9-21-10-15/h1-8,15,21H,9-10H2,(H2,22,23,24)
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8.10n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283679
PNG
(N-(4-(azetidin-3-yloxy)phenyl)-4-chlorobenzamide |...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C16H15ClN2O2/c17-12-3-1-11(2-4-12)16(20)19-13-5-7-14(8-6-13)21-15-9-18-10-15/h1-8,15,18H,9-10H2,(H,19,20)
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8.70n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283735
PNG
(N-[4-(azetidin-3-ylidenemethyl)phenyl]-2-(trifluor...)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(C=C2CNC2)cc1
Show InChI InChI=1S/C17H14F3N3O/c18-17(19,20)15-8-13(5-6-22-15)16(24)23-14-3-1-11(2-4-14)7-12-9-21-10-12/h1-8,21H,9-10H2,(H,23,24)
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9.90n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283745
PNG
(N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-5-(tri...)
Show SMILES FC(F)(F)c1cnc(cn1)C(=O)Nc1ccc(CC2(F)CNC2)cc1
Show InChI InChI=1S/C16H14F4N4O/c17-15(8-21-9-15)5-10-1-3-11(4-2-10)24-14(25)12-6-23-13(7-22-12)16(18,19)20/h1-4,6-7,21H,5,8-9H2,(H,24,25)
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9.90n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283700
PNG
(N-[4-(azetidin-3-yloxy)-3-fluoro-phenyl]-4-chloro-...)
Show SMILES Fc1cc(NC(=O)c2[nH]nc(C3CC3)c2Cl)ccc1OC1CNC1
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11n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283750
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(cn1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)13-8-20-12(7-21-13)14(23)22-9-1-3-10(4-2-9)24-11-5-19-6-11/h1-4,7-8,11,19H,5-6H2,(H,22,23)
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11n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283787
PNG
(1-[4-(azetidin-3-ylsulfanyl)phenyl]-3-(3-chlorophe...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(SC3CNC3)cc2)c1
Show InChI InChI=1S/C16H16ClN3OS/c17-11-2-1-3-13(8-11)20-16(21)19-12-4-6-14(7-5-12)22-15-9-18-10-15/h1-8,15,18H,9-10H2,(H2,19,20,21)
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11n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283708
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-3-isopropy...)
Show SMILES CC(C)c1n[nH]c(C(=O)Nc2ccc(OC3CNC3)cc2)c1Cl
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12n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283760
PNG
(N-(4-(azetidin-3-ylidenemethyl)-3-fluorophenyl)-6-...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)C(=O)Nc1ccc(C=C2CNC2)c(F)c1
Show InChI InChI=1S/C17H14F4N4O/c1-9-4-14(25-16(23-9)17(19,20)21)15(26)24-12-3-2-11(13(18)6-12)5-10-7-22-8-10/h2-6,22H,7-8H2,1H3,(H,24,26)
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13n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283715
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-3-(trifluo...)
Show SMILES FC(F)(F)c1n[nH]c(C(=O)Nc2ccc(OC3CNC3)cc2)c1Cl
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14n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283790
PNG
(1-[4-(azetidin-3-ylmethyl)phenyl]-3-(4-methoxyphen...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(CC3CNC3)cc2)c1
Show InChI InChI=1S/C17H18ClN3O/c18-14-2-1-3-16(9-14)21-17(22)20-15-6-4-12(5-7-15)8-13-10-19-11-13/h1-7,9,13,19H,8,10-11H2,(H2,20,21,22)
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14n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283706
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-4-bromo-3-cycloprop...)
Show SMILES Brc1c(n[nH]c1C(=O)Nc1ccc(OC2CNC2)cc1)C1CC1
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15n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283792
PNG
(1-[4-(azetidin-3-ylidenemethyl)phenyl]-3-(4-methox...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(C=C3CNC3)cc2)cc1
Show InChI InChI=1S/C18H19N3O2/c1-23-17-8-6-16(7-9-17)21-18(22)20-15-4-2-13(3-5-15)10-14-11-19-12-14/h2-10,19H,11-12H2,1H3,(H2,20,21,22)
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15n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283707
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-3-tert-butyl-4-chlo...)
Show SMILES CC(C)(C)c1n[nH]c(C(=O)Nc2ccc(OC3CNC3)cc2)c1Cl
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15n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283731
PNG
(4-chloro-3-cyclopropyl-N-[4-[(3-fluoroazetidin-3-y...)
Show SMILES FC1(Cc2ccc(NC(=O)c3n[nH]c(C4CC4)c3Cl)cc2)CNC1
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15n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283805
PNG
(N-(4-(((2S,3S)-3-fluoroazetidin-2-yl)methyl)phenyl...)
Show SMILES F[C@H]1CN[C@H]1Cc1ccc(NC(=O)c2cnc(nc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H14F4N4O/c17-12-8-21-13(12)5-9-1-3-11(4-2-9)24-14(25)10-6-22-15(23-7-10)16(18,19)20/h1-4,6-7,12-13,21H,5,8H2,(H,24,25)/t12-,13-/m0/s1
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16n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283729
PNG
(6-chloro-N-[4-[(3-fluoroazetidin-3-yl)methyl]pheny...)
Show SMILES FC1(Cc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CNC1
Show InChI InChI=1S/C16H15ClFN3O/c17-14-6-3-12(8-20-14)15(22)21-13-4-1-11(2-5-13)7-16(18)9-19-10-16/h1-6,8,19H,7,9-10H2,(H,21,22)
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18n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283737
PNG
(N-[4-(azetidin-3-ylidenemethyl)phenyl]-2-(trifluor...)
Show SMILES FC(F)(F)c1nccc(Nc2ccc(C=C3CNC3)cc2)n1
Show InChI InChI=1S/C15H13F3N4/c16-15(17,18)14-20-6-5-13(22-14)21-12-3-1-10(2-4-12)7-11-8-19-9-11/h1-7,19H,8-9H2,(H,20,21,22)
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18n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283688
PNG
(N-(4-(azetidin-3-yloxy)phenyl)-4-chloro-3-cyclopro...)
Show SMILES Clc1c(n[nH]c1C(=O)Nc1ccc(OC2CNC2)cc1)C1CC1
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18n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283752
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-5-(2,2,2-trifluoroe...)
Show SMILES FC(F)(F)COc1cnc(cn1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C16H15F3N4O3/c17-16(18,19)9-25-14-8-21-13(7-22-14)15(24)23-10-1-3-11(4-2-10)26-12-5-20-6-12/h1-4,7-8,12,20H,5-6,9H2,(H,23,24)
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19n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283733
PNG
(N-[4-(azetidin-3-ylidenemethyl)phenyl]-4-chloro-3-...)
Show SMILES Clc1c(n[nH]c1C1CC1)C(=O)Nc1ccc(C=C2CNC2)cc1
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19n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283803
PNG
(6-ethoxy-N-(4-(((2S,3S)-3-fluoroazetidin-2-yl)meth...)
Show SMILES CCOc1ccc(cn1)C(=O)Nc1ccc(C[C@@H]2NC[C@@H]2F)cc1
Show InChI InChI=1S/C18H20FN3O2/c1-2-24-17-8-5-13(10-21-17)18(23)22-14-6-3-12(4-7-14)9-16-15(19)11-20-16/h3-8,10,15-16,20H,2,9,11H2,1H3,(H,22,23)/t15-,16-/m0/s1
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20n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283756
PNG
(N-[4-[[(2S)-azetidin-2-yl]methyl]phenyl]-6-chloro-...)
Show SMILES Clc1ccc(cn1)C(=O)Nc1ccc(C[C@H]2CCN2)cc1
Show InChI InChI=1S/C16H16ClN3O/c17-15-6-3-12(10-19-15)16(21)20-13-4-1-11(2-5-13)9-14-7-8-18-14/h1-6,10,14,18H,7-9H2,(H,20,21)/t14-/m1/s1
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20n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283694
PNG
(N-(4-(azetidin-3-yloxy)phenyl)-2-(2,2,2-trifluoroe...)
Show SMILES FC(F)(F)COc1ncc(cn1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C16H15F3N4O3/c17-16(18,19)9-25-15-21-5-10(6-22-15)14(24)23-11-1-3-12(4-2-11)26-13-7-20-8-13/h1-6,13,20H,7-9H2,(H,23,24)
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21n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283696
PNG
(N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-(2,2,2-t...)
Show SMILES FC(F)(F)Cn1cc(Cl)c(n1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C15H14ClF3N4O2/c16-12-7-23(8-15(17,18)19)22-13(12)14(24)21-9-1-3-10(4-2-9)25-11-5-20-6-11/h1-4,7,11,20H,5-6,8H2,(H,21,24)
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21n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283801
PNG
(N-(4-(((2S,3S)-3-fluoroazetidin-2-yl)methyl)phenyl...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)C(=O)Nc1ccc(C[C@@H]2NC[C@@H]2F)cc1
Show InChI InChI=1S/C17H16F4N4O/c1-9-6-14(25-16(23-9)17(19,20)21)15(26)24-11-4-2-10(3-5-11)7-13-12(18)8-22-13/h2-6,12-13,22H,7-8H2,1H3,(H,24,26)/t12-,13-/m0/s1
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22n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283681
PNG
(N-(4-(azetidin-3-yloxy)phenyl)-2-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ncc(cn1)C(=O)Nc1ccc(OC2CNC2)cc1
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)14-20-5-9(6-21-14)13(23)22-10-1-3-11(4-2-10)24-12-7-19-8-12/h1-6,12,19H,7-8H2,(H,22,23)
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23n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283779
PNG
(N-(4-(((2S,3S)-3-fluoroazetidin-2-yl)methyl)phenyl...)
Show SMILES F[C@H]1CN[C@H]1Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H15F4N3O/c18-13-9-23-14(13)7-10-1-3-12(4-2-10)24-16(25)11-5-6-22-15(8-11)17(19,20)21/h1-6,8,13-14,23H,7,9H2,(H,24,25)/t13-,14-/m0/s1
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23n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283740
PNG
(N-[4-(azetidin-3-ylidenemethyl)phenyl]-6-chloro-py...)
Show SMILES Clc1ccc(cn1)C(=O)Nc1ccc(C=C2CNC2)cc1
Show InChI InChI=1S/C16H14ClN3O/c17-15-6-3-13(10-19-15)16(21)20-14-4-1-11(2-5-14)7-12-8-18-9-12/h1-7,10,18H,8-9H2,(H,20,21)
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23n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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


(Rattus norvegicus (Rat))
BDBM283781
PNG
(1-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-3-(4-m...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(CC3(F)CNC3)cc2)cc1
Show InChI InChI=1S/C18H20FN3O2/c1-24-16-8-6-15(7-9-16)22-17(23)21-14-4-2-13(3-5-14)10-18(19)11-20-12-18/h2-9,20H,10-12H2,1H3,(H2,21,22,23)
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24n/an/an/an/an/an/an/an/a



Hoffman-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 US10023559 (2018)

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