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11 similar compounds to monomer 119186

Compile data set for download or QSAR
Wt: 311.3
BDBM119170
Wt: 297.3
BDBM119179
Wt: 325.3
BDBM119180
Wt: 325.4
BDBM119182
Wt: 323.3
BDBM119187
Wt: 351.3
BDBM119189
Wt: 339.4
BDBM119190
Wt: 353.4
BDBM119191
Wt: 308.3
BDBM119192
Wt: 337.4
BDBM119193
Wt: 325.4
BDBM119194

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 119170,119179,119180,119182,119187,119189,119190,119191,119192,119193,119194   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.200n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.300n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.300n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


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


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.700n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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0.700n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
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-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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119179
PNG
(US8673950, 46)
Show SMILES Cc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C16H19N5O/c1-11-8-18-16(19-9-11)21-13-5-2-12(3-6-13)4-7-14-10-22-15(17)20-14/h2-3,5-6,8-9,14H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)/t14-/m0/s1
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1.20n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119170
PNG
(US8673950, 37)
Show SMILES CCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C17H21N5O/c1-2-12-9-19-17(20-10-12)22-14-6-3-13(4-7-14)5-8-15-11-23-16(18)21-15/h3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,18,21)(H,19,20,22)/t15-/m0/s1
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1.20n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119170
PNG
(US8673950, 37)
Show SMILES CCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C17H21N5O/c1-2-12-9-19-17(20-10-12)22-14-6-3-13(4-7-14)5-8-15-11-23-16(18)21-15/h3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,18,21)(H,19,20,22)/t15-/m0/s1
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1.30n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119189
PNG
(US8673950, 56)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(cn3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C16H16F3N5O/c17-16(18,19)11-7-21-15(22-8-11)24-12-4-1-10(2-5-12)3-6-13-9-25-14(20)23-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,20,23)(H,21,22,24)/t13-/m0/s1
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1.90n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119180
PNG
(US8673950, 47)
Show SMILES CC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C17H19N5O2/c1-11(23)13-8-19-17(20-9-13)22-14-5-2-12(3-6-14)4-7-15-10-24-16(18)21-15/h2-3,5-6,8-9,15H,4,7,10H2,1H3,(H2,18,21)(H,19,20,22)/t15-/m0/s1
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2.40n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM119189
PNG
(US8673950, 56)
Show SMILES NC1=N[C@@H](CCc2ccc(Nc3ncc(cn3)C(F)(F)F)cc2)CO1
Show InChI InChI=1S/C16H16F3N5O/c17-16(18,19)11-7-21-15(22-8-11)24-12-4-1-10(2-5-12)3-6-13-9-25-14(20)23-13/h1-2,4-5,7-8,13H,3,6,9H2,(H2,20,23)(H,21,22,24)/t13-/m0/s1
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3.90n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
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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US Patent
8n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119179
PNG
(US8673950, 46)
Show SMILES Cc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C16H19N5O/c1-11-8-18-16(19-9-11)21-13-5-2-12(3-6-13)4-7-14-10-22-15(17)20-14/h2-3,5-6,8-9,14H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)/t14-/m0/s1
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10.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


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


US Patent US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM119180
PNG
(US8673950, 47)
Show SMILES CC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1
Show InChI InChI=1S/C17H19N5O2/c1-11(23)13-8-19-17(20-9-13)22-14-5-2-12(3-6-14)4-7-15-10-24-16(18)21-15/h2-3,5-6,8-9,15H,4,7,10H2,1H3,(H2,18,21)(H,19,20,22)/t15-/m0/s1
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19.2n/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 US8673950 (2014)


BindingDB Entry DOI: 10.7270/Q29S1PQD
More data for this
Ligand-Target Pair