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Compile Data Set for Download or QSAR

Found 638 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1 (TAAR1)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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))
BDBM119147
PNG
(US8673950, 14)
Show SMILES Cc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cc1
Show InChI InChI=1S/C18H21N3O/c1-13-2-7-15(8-3-13)20-16-9-4-14(5-10-16)6-11-17-12-22-18(19)21-17/h2-5,7-10,17,20H,6,11-12H2,1H3,(H2,19,21)/t17-/m0/s1
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US Patent
0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119143
PNG
(US8673950, 10)
Show SMILES Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ccc1OC(F)(F)F
Show InChI InChI=1S/C19H20F3N3O2/c1-12-10-15(8-9-17(12)27-19(20,21)22)24-14-5-2-13(3-6-14)4-7-16-11-26-18(23)25-16/h2-3,5-6,8-10,16,24H,4,7,11H2,1H3,(H2,23,25)/t16-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119146
PNG
(US8673950, 13)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccccc3)cc2)CO1
Show InChI InChI=1S/C17H19N3O/c18-17-20-16(12-21-17)11-8-13-6-9-15(10-7-13)19-14-4-2-1-3-5-14/h1-7,9-10,16,19H,8,11-12H2,(H2,18,20)/t16-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119191
PNG
(US8673950, 58)
Show SMILES CCC(CC)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C20H27N5O/c1-3-15(4-2)16-11-22-20(23-12-16)25-17-8-5-14(6-9-17)7-10-18-13-26-19(21)24-18/h5-6,8-9,11-12,15,18H,3-4,7,10,13H2,1-2H3,(H2,21,24)(H,22,23,25)/t18-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119152
PNG
(US8673950, 19)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)c(Cl)c3)cc2)CO1
Show InChI InChI=1S/C17H17Cl2N3O/c18-15-8-7-13(9-16(15)19)21-12-4-1-11(2-5-12)3-6-14-10-23-17(20)22-14/h1-2,4-5,7-9,14,21H,3,6,10H2,(H2,20,22)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119139
PNG
(US8673950, 6)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3)cc2)CO1
Show InChI InChI=1S/C17H18ClN3O/c18-13-4-9-15(10-5-13)20-14-6-1-12(2-7-14)3-8-16-11-22-17(19)21-16/h1-2,4-7,9-10,16,20H,3,8,11H2,(H2,19,21)/t16-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119148
PNG
(US8673950, 15)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cn3)cc2)CO1
Show InChI InChI=1S/C16H17ClN4O/c17-12-4-8-15(19-9-12)20-13-5-1-11(2-6-13)3-7-14-10-22-16(18)21-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,18,21)(H,19,20)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119135
PNG
(US8673950, 2)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cccc4ccccc34)cc2)CO1
Show InChI InChI=1S/C21H21N3O/c22-21-24-18(14-25-21)13-10-15-8-11-17(12-9-15)23-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,11-12,18,23H,10,13-14H2,(H2,22,24)/t18-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119140
PNG
(US8673950, 7)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3F)cc2)CO1
Show InChI InChI=1S/C17H17ClFN3O/c18-12-4-8-16(15(19)9-12)21-13-5-1-11(2-6-13)3-7-14-10-23-17(20)22-14/h1-2,4-6,8-9,14,21H,3,7,10H2,(H2,20,22)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119194
PNG
(US8673950, 61)
Show SMILES CC(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C18H23N5O/c1-12(2)14-9-20-18(21-10-14)23-15-6-3-13(4-7-15)5-8-16-11-24-17(19)22-16/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3,(H2,19,22)(H,20,21,23)/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119142
PNG
(US8673950, 9)
Show SMILES COc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cc1
Show InChI InChI=1S/C18H21N3O2/c1-22-17-10-8-15(9-11-17)20-14-5-2-13(3-6-14)4-7-16-12-23-18(19)21-16/h2-3,5-6,8-11,16,20H,4,7,12H2,1H3,(H2,19,21)/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119141
PNG
(US8673950, 8)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(cc3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C18H18F3N3O/c19-18(20,21)13-4-9-15(10-5-13)23-14-6-1-12(2-7-14)3-8-16-11-25-17(22)24-16/h1-2,4-7,9-10,16,23H,3,8,11H2,(H2,22,24)/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119155
PNG
(US8673950, 22)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cc(F)ccn3)cc2)CO1
Show InChI InChI=1S/C16H17FN4O/c17-12-7-8-19-15(9-12)20-13-4-1-11(2-5-13)3-6-14-10-22-16(18)21-14/h1-2,4-5,7-9,14H,3,6,10H2,(H2,18,21)(H,19,20)/t14-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119136
PNG
(US8673950, 3)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(F)cn3)cc2)CO1
Show InChI InChI=1S/C16H17FN4O/c17-12-4-8-15(19-9-12)20-13-5-1-11(2-6-13)3-7-14-10-22-16(18)21-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,18,21)(H,19,20)/t14-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119156
PNG
(US8673950, 23)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cc(ccn3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)12-7-8-22-15(9-12)23-13-4-1-11(2-5-13)3-6-14-10-25-16(21)24-14/h1-2,4-5,7-9,14H,3,6,10H2,(H2,21,24)(H,22,23)/t14-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119193
PNG
(US8673950, 60)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(cn3)C3CCC3)cc2)CO1
Show InChI InChI=1S/C19H23N5O/c20-18-23-17(12-25-18)9-6-13-4-7-16(8-5-13)24-19-21-10-15(11-22-19)14-2-1-3-14/h4-5,7-8,10-11,14,17H,1-3,6,9,12H2,(H2,20,23)(H,21,22,24)/t17-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119151
PNG
(US8673950, 18)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(Cl)cn3)cc2)CO1
Show InChI InChI=1S/C15H16ClN5O/c16-11-7-18-15(19-8-11)21-12-4-1-10(2-5-12)3-6-13-9-22-14(17)20-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,17,20)(H,18,19,21)/t13-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM109581
PNG
(US8604061, 316)
Show SMILES NC1=N[C@H](CO1)c1ccc(Br)cc1Cl
Show InChI InChI=1S/C9H8BrClN2O/c10-5-1-2-6(7(11)3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)

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


(Rattus norvegicus (Rat))
BDBM119149
PNG
(US8673950, 16)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(cn3)C#N)cc2)CO1
Show InChI InChI=1S/C17H17N5O/c18-9-13-4-8-16(20-10-13)21-14-5-1-12(2-6-14)3-7-15-11-23-17(19)22-15/h1-2,4-6,8,10,15H,3,7,11H2,(H2,19,22)(H,20,21)/t15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119144
PNG
(US8673950, 11)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ccc(cn3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)12-4-8-15(22-9-12)23-13-5-1-11(2-6-13)3-7-14-10-25-16(21)24-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,21,24)(H,22,23)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM167466
PNG
(US9073911, 15)
Show SMILES Clc1cccc(c1)-c1cc([nH]n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1
Show InChI InChI=1/C20H19ClN4O2/c21-15-3-1-2-14(10-15)17-11-18(25-24-17)20(26)23-16-6-4-13(5-7-16)19-12-22-8-9-27-19/h1-7,10-11,19,22H,8-9,12H2,(H,23,26)(H,24,25)/t19-/s2
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0.400n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9073911 (2015)

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


(Rattus norvegicus (Rat))
BDBM167453
PNG
(US9073911, 2)
Show SMILES Clc1cccc(c1)-c1cc(n[nH]1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
Show InChI InChI=1/C20H19ClN4O2/c21-15-3-1-2-14(10-15)17-11-18(25-24-17)20(26)23-16-6-4-13(5-7-16)19-12-22-8-9-27-19/h1-7,10-11,19,22H,8-9,12H2,(H,23,26)(H,24,25)/t19-/s2
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0.400n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9073911 (2015)

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


(Rattus norvegicus (Rat))
BDBM167463
PNG
(US9073911, 12)
Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1
Show InChI InChI=1/C20H19ClN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,11,19,22H,9-10,12H2,(H,23,26)(H,24,25)/t19-/s2
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0.400n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9073911 (2015)

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


(Rattus norvegicus (Rat))
BDBM119190
PNG
(US8673950, 57)
Show SMILES CC(C)(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C19H25N5O/c1-19(2,3)14-10-21-18(22-11-14)24-15-7-4-13(5-8-15)6-9-16-12-25-17(20)23-16/h4-5,7-8,10-11,16H,6,9,12H2,1-3H3,(H2,20,23)(H,21,22,24)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119187
PNG
(US8673950, 54)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(cn3)C3CC3)cc2)CO1
Show InChI InChI=1S/C18H21N5O/c19-17-22-16(11-24-17)8-3-12-1-6-15(7-2-12)23-18-20-9-14(10-21-18)13-4-5-13/h1-2,6-7,9-10,13,16H,3-5,8,11H2,(H2,19,22)(H,20,21,23)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119184
PNG
(US8673950, 51)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(Br)cn3)cc2)CO1
Show InChI InChI=1S/C15H16BrN5O/c16-11-7-18-15(19-8-11)21-12-4-1-10(2-5-12)3-6-13-9-22-14(17)20-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,17,20)(H,18,19,21)/t13-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119169
PNG
(US8673950, 36)
Show SMILES COc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
Show InChI InChI=1S/C16H19N5O2/c1-22-14-8-9-18-16(21-14)20-12-5-2-11(3-6-12)4-7-13-10-23-15(17)19-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,19)(H,18,20,21)/t13-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119161
PNG
(US8673950, 28)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cccc(Cl)n3)cc2)CO1
Show InChI InChI=1S/C16H17ClN4O/c17-14-2-1-3-15(21-14)19-12-7-4-11(5-8-12)6-9-13-10-22-16(18)20-13/h1-5,7-8,13H,6,9-10H2,(H2,18,20)(H,19,21)/t13-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119154
PNG
(US8673950, 21)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncccc3F)cc2)CO1
Show InChI InChI=1S/C16H17FN4O/c17-14-2-1-9-19-15(14)20-12-6-3-11(4-7-12)5-8-13-10-22-16(18)21-13/h1-4,6-7,9,13H,5,8,10H2,(H2,18,21)(H,19,20)/t13-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM158219
PNG
(US9029370, 12)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1F)[C@@H]1CNCCO1
Show InChI InChI=1/C20H18F2N4O2/c21-14-2-4-15(5-3-14)26-9-7-18(25-26)20(27)24-17-6-1-13(11-16(17)22)19-12-23-8-10-28-19/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/s2
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0.600n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM167497
PNG
(US9073911, 46)
Show SMILES FC(F)Oc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1
Show InChI InChI=1/C21H20F2N4O3/c22-21(23)30-17-7-5-16(6-8-17)27-11-9-18(26-27)20(28)25-15-3-1-14(2-4-15)19-13-24-10-12-29-19/h1-9,11,19,21,24H,10,12-13H2,(H,25,28)/t19-/s2
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0.600n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9073911 (2015)

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


(Rattus norvegicus (Rat))
BDBM119137
PNG
(US8673950, 4)
Show SMILES Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)c2ncccc2c1
Show InChI InChI=1S/C21H22N4O/c1-14-11-16-3-2-10-23-20(16)19(12-14)24-17-7-4-15(5-8-17)6-9-18-13-26-21(22)25-18/h2-5,7-8,10-12,18,24H,6,9,13H2,1H3,(H2,22,25)/t18-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119134
PNG
(US8673950, 1)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cccc4cccnc34)cc2)CO1
Show InChI InChI=1S/C20H20N4O/c21-20-24-17(13-25-20)11-8-14-6-9-16(10-7-14)23-18-5-1-3-15-4-2-12-22-19(15)18/h1-7,9-10,12,17,23H,8,11,13H2,(H2,21,24)/t17-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM158302
PNG
(US9029370, 96)
Show SMILES FC(F)Oc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(Cl)c1
Show InChI InChI=1/C21H19ClF2N4O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29)/t19-/s2
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0.600n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM167486
PNG
(US9073911, 35)
Show SMILES FC(F)(F)c1ccc(nc1)-n1ccc(n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1
Show InChI InChI=1/C20H18F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29)/t17-/s2
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0.600n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


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


US Patent US9073911 (2015)

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


(Rattus norvegicus (Rat))
BDBM119185
PNG
(US8673950, 52)
Show SMILES C[C@@H]1OC(N)=N[C@H]1CCc1ccc(Nc2ncc(Cl)cn2)cc1
Show InChI InChI=1S/C16H18ClN5O/c1-10-14(22-15(18)23-10)7-4-11-2-5-13(6-3-11)21-16-19-8-12(17)9-20-16/h2-3,5-6,8-10,14H,4,7H2,1H3,(H2,18,22)(H,19,20,21)/t10-,14-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119183
PNG
(US8673950, 50)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cnc(Cl)nc3)cc2)CO1
Show InChI InChI=1S/C15H16ClN5O/c16-14-18-7-13(8-19-14)20-11-4-1-10(2-5-11)3-6-12-9-22-15(17)21-12/h1-2,4-5,7-8,12,20H,3,6,9H2,(H2,17,21)/t12-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119182
PNG
(US8673950, 49)
Show SMILES CCCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C18H23N5O/c1-2-3-14-10-20-18(21-11-14)23-15-7-4-13(5-8-15)6-9-16-12-24-17(19)22-16/h4-5,7-8,10-11,16H,2-3,6,9,12H2,1H3,(H2,19,22)(H,20,21,23)/t16-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM158292
PNG
(US9029370, 86)
Show SMILES FC(F)Oc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc([C@@H]2CNCCO2)c(F)c1
Show InChI InChI=1/C21H19F3N4O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29)/t19-/s2
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0.700n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM119158
PNG
(US8673950, 25)
Show SMILES Cc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
Show InChI InChI=1S/C17H20N4O/c1-12-3-2-4-16(19-12)20-14-8-5-13(6-9-14)7-10-15-11-22-17(18)21-15/h2-6,8-9,15H,7,10-11H2,1H3,(H2,18,21)(H,19,20)/t15-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119204
PNG
(US8673950, 72)
Show SMILES Cc1cc(CC[C@H]2COC(N)=N2)ccc1Nc1ncc(Cl)cn1
Show InChI InChI=1S/C16H18ClN5O/c1-10-6-11(2-4-13-9-23-15(18)21-13)3-5-14(10)22-16-19-7-12(17)8-20-16/h3,5-8,13H,2,4,9H2,1H3,(H2,18,21)(H,19,20,22)/t13-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM158269
PNG
(US9029370, 63)
Show SMILES Fc1cc(ccc1NC(=O)Nc1ccc(F)c(c1)C#N)[C@@H]1CNCCO1
Show InChI InChI=1/C18H16F2N4O2/c19-14-3-2-13(7-12(14)9-21)23-18(25)24-16-4-1-11(8-15(16)20)17-10-22-5-6-26-17/h1-4,7-8,17,22H,5-6,10H2,(H2,23,24,25)/t17-/s2
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0.700n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM158296
PNG
(US9029370, 90)
Show SMILES FC(F)Oc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc([C@H]2CNCCO2)c(F)c1
Show InChI InChI=1/C21H19F3N4O3/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29)/t19-/s2
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0.700n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM119171
PNG
(US8673950, 38)
Show SMILES COc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C16H19N5O2/c1-22-14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)/t13-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119165
PNG
(US8673950, 32)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cc(Cl)ncn3)cc2)CO1
Show InChI InChI=1S/C15H16ClN5O/c16-13-7-14(19-9-18-13)20-11-4-1-10(2-5-11)3-6-12-8-22-15(17)21-12/h1-2,4-5,7,9,12H,3,6,8H2,(H2,17,21)(H,18,19,20)/t12-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119159
PNG
(US8673950, 26)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3cccc(n3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C17H17F3N4O/c18-17(19,20)14-2-1-3-15(24-14)22-12-7-4-11(5-8-12)6-9-13-10-25-16(21)23-13/h1-5,7-8,13H,6,9-10H2,(H2,21,23)(H,22,24)/t13-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM119192
PNG
(US8673950, 59)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(cn3)C#N)cc2)CO1
Show InChI InChI=1S/C16H16N6O/c17-7-12-8-19-16(20-9-12)22-13-4-1-11(2-5-13)3-6-14-10-23-15(18)21-14/h1-2,4-5,8-9,14H,3,6,10H2,(H2,18,21)(H,19,20,22)/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

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


(Rattus norvegicus (Rat))
BDBM158210
PNG
(US9029370, 2)
Show SMILES Fc1ccc2c(n[nH]c2c1)C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1
Show InChI InChI=1/C18H16F2N4O2/c19-11-2-3-12-15(8-11)23-24-17(12)18(25)22-14-4-1-10(7-13(14)20)16-9-21-5-6-26-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,25)(H,23,24)/t16-/s2
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0.900n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM158266
PNG
(US9029370, 60)
Show SMILES FC(F)Oc1ccc(cc1NC(=O)Nc1ccc(cc1Br)[C@@H]1CNCCO1)C#N
Show InChI InChI=1/C19H17BrF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)/t17-/s2
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1n/an/an/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 inac...


US Patent US9029370 (2015)

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


(Rattus norvegicus (Rat))
BDBM119173
PNG
(US8673950, 40)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3nccc(n3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C16H16F3N5O/c17-16(18,19)13-7-8-21-15(24-13)23-11-4-1-10(2-5-11)3-6-12-9-25-14(20)22-12/h1-2,4-5,7-8,12H,3,6,9H2,(H2,20,22)(H,21,23,24)/t12-/m0/s1
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1n/an/an/an/an/an/an/an/a



Hoffmann-LaRoche Inc.

US Patent


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


US Patent US8673950 (2014)

More data for this
Ligand-Target Pair
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