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Patent code US9452980

Compile Data Set for Download or QSAR

Found 625 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250244
PNG
(US11697636, Example 154 | US9452980, 154)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCN2)cc1
Show InChI InChI=1S/C19H20Cl2N2O/c20-17-10-6-14(12-18(17)21)19(24)23-16-8-4-13(5-9-16)3-7-15-2-1-11-22-15/h4-6,8-10,12,15,22H,1-3,7,11H2,(H,23,24)
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 0.200 -57.6n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250218
PNG
(US10501411, Example 128 | US11697636, Example 128 ...)
Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)
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 0.300 -56.5n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250242
PNG
(US11697636, Example 152 | US9452980, 152)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-16-8-5-13(10-17(16)20)18(23)22-15-6-3-12(4-7-15)14-2-1-9-21-11-14/h3-8,10,14,21H,1-2,9,11H2,(H,22,23)/t14-/m1/s1
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 0.300 -56.5n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250212
PNG
(US10501411, Example 122 | US11697636, Example 122 ...)
Show SMILES FC(F)(F)c1ccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C20H21F3N2O2/c21-20(22,23)17-5-1-14(2-6-17)10-12-27-19(26)25-18-7-3-15(4-8-18)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26)
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 0.300 -56.5n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250218
PNG
(US10501411, Example 128 | US11697636, Example 128 ...)
Show SMILES Clc1ccc(CCCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C20H23ClN2O2/c21-18-7-3-15(4-8-18)2-1-13-25-20(24)23-19-9-5-16(6-10-19)17-11-12-22-14-17/h3-10,17,22H,1-2,11-14H2,(H,23,24)
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 0.300 -56.5n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250215
PNG
(US10501411, Example 125 | US11697636, Example 125 ...)
Show SMILES FC(F)(F)Oc1ccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C20H21F3N2O3/c21-20(22,23)28-18-7-1-14(2-8-18)10-12-27-19(26)25-17-5-3-15(4-6-17)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26)
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 0.300 -56.5n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250210
PNG
(US10501411, Example 120 | US11697636, Example 120 ...)
Show SMILES Clc1ccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C19H21ClN2O2/c20-17-5-1-14(2-6-17)10-12-24-19(23)22-18-7-3-15(4-8-18)16-9-11-21-13-16/h1-8,16,21H,9-13H2,(H,22,23)
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 0.400 -55.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250232
PNG
(US10501411, Example 142 | US11697636, Example 142 ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(CCC2CCCN2)cc1
Show InChI InChI=1S/C19H21ClN2O/c20-16-8-6-15(7-9-16)19(23)22-18-11-4-14(5-12-18)3-10-17-2-1-13-21-17/h4-9,11-12,17,21H,1-3,10,13H2,(H,22,23)
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 0.400 -55.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250240
PNG
(US11697636, Example 150 | US9452980, 150)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-16-8-5-13(10-17(16)20)18(23)22-15-6-3-12(4-7-15)14-2-1-9-21-11-14/h3-8,10,14,21H,1-2,9,11H2,(H,22,23)/t14-/m0/s1
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 0.400 -55.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250211
PNG
(US10501411, Example 121 | US11697636, Example 121 ...)
Show SMILES Clc1cccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)c1
Show InChI InChI=1S/C19H21ClN2O2/c20-17-3-1-2-14(12-17)9-11-24-19(23)22-18-6-4-15(5-7-18)16-8-10-21-13-16/h1-7,12,16,21H,8-11,13H2,(H,22,23)
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 0.400 -55.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250110
PNG
(US10501411, Example 20 | US11697636, Example 20 | ...)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-3-1-2-13(10-15)17(21)20-16-6-4-12(5-7-16)14-8-9-19-11-14/h1-7,10,14,19H,8-9,11H2,(H,20,21)
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 0.5 -55.2n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250243
PNG
(US11697636, Example 153 | US9452980, 153)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m1/s1
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 0.5 -55.2n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250393
PNG
(US10501411, Example 303 | US11697636, Example 303 ...)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(cc2)C2CNCCO2)c1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-2-1-3-15(10-13)21-17(22)20-14-6-4-12(5-7-14)16-11-19-8-9-23-16/h1-7,10,16,19H,8-9,11H2,(H2,20,21,22)
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 0.5 -55.2n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250122
PNG
(US10501411, Example 32 | US11697636, Example 32 | ...)
Show SMILES CN1CCC(C1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O/c1-21-11-10-15(12-21)13-4-8-17(9-5-13)20-18(22)14-2-6-16(19)7-3-14/h2-9,15H,10-12H2,1H3,(H,20,22)
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 0.5 -55.2n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250211
PNG
(US10501411, Example 121 | US11697636, Example 121 ...)
Show SMILES Clc1cccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)c1
Show InChI InChI=1S/C19H21ClN2O2/c20-17-3-1-2-14(12-17)9-11-24-19(23)22-18-6-4-15(5-7-18)16-8-10-21-13-16/h1-7,12,16,21H,8-11,13H2,(H,22,23)
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 0.5 -55.2n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250401
PNG
(US10501411, Example 311 | US11697636, Example 311 ...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)13-3-7-15(8-4-13)24-17(25)23-14-5-1-12(2-6-14)16-11-22-9-10-26-16/h1-8,16,22H,9-11H2,(H2,23,24,25)/t16-/m0/s1
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 0.5 -55.2n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250147
PNG
(US10501411, Example 57 | US11697636, Example 57 | ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C18H19ClN2O/c19-16-5-1-15(2-6-16)18(22)21-17-7-3-13(4-8-17)14-9-11-20-12-10-14/h1-8,14,20H,9-12H2,(H,21,22)
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 0.5 -55.2n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250325
PNG
(US10501411, Example 235 | US11697636, Example 235 ...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)[C@@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C19H21ClN2O2/c20-16-5-9-18(10-6-16)24-13-19(23)22-17-7-3-14(4-8-17)15-2-1-11-21-12-15/h3-10,15,21H,1-2,11-13H2,(H,22,23)/t15-/m1/s1
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 0.600 -54.8n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250315
PNG
(US10501411, Example 225 | US11697636, Example 225 ...)
Show SMILES Cc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H21ClN2O/c1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16/h4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t16-/m1/s1
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 0.600 -54.8n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250092
PNG
(US10501411, Example 2 | US11697648, Example 2 | US...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H20Cl2N4O/c1-23-8-10-24(11-9-23)15-5-2-13(3-6-15)21-18(25)22-14-4-7-16(19)17(20)12-14/h2-7,12H,8-11H2,1H3,(H2,21,22,25)
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 0.600 -54.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250123
PNG
(US10501411, Example 33 | US11697636, Example 33 | ...)
Show SMILES CCN1CCC(C1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-2-22-12-11-16(13-22)14-5-9-18(10-6-14)21-19(23)15-3-7-17(20)8-4-15/h3-10,16H,2,11-13H2,1H3,(H,21,23)
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 0.600 -54.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250233
PNG
(US10501411, Example 143 | US11697636, Example 143 ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1 |r|
Show InChI InChI=1S/C17H17ClN2O2/c18-14-5-1-13(2-6-14)17(21)20-15-7-3-12(4-8-15)16-11-19-9-10-22-16/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m0/s1
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 0.600 -54.8n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250217
PNG
(US10501411, Example 127 | US11697636, Example 127 ...)
Show SMILES CC(OC(=O)Nc1ccc(cc1)C1CCNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2/c1-13(14-2-6-17(20)7-3-14)24-19(23)22-18-8-4-15(5-9-18)16-10-11-21-12-16/h2-9,13,16,21H,10-12H2,1H3,(H,22,23)
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 0.600 -54.8n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250129
PNG
(US10501411, Example 70 | US11697636, Example 70 | ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(OC2CCNC2)cc1
Show InChI InChI=1S/C17H17ClN2O2/c18-13-3-1-12(2-4-13)17(21)20-14-5-7-15(8-6-14)22-16-9-10-19-11-16/h1-8,16,19H,9-11H2,(H,20,21)
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250148
PNG
(US10501411, Example 58 | US11697636, Example 58 | ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CCCNC1
Show InChI InChI=1S/C18H19ClN2O/c19-16-7-3-14(4-8-16)18(22)21-17-9-5-13(6-10-17)15-2-1-11-20-12-15/h3-10,15,20H,1-2,11-12H2,(H,21,22)
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250215
PNG
(US10501411, Example 125 | US11697636, Example 125 ...)
Show SMILES FC(F)(F)Oc1ccc(CCOC(=O)Nc2ccc(cc2)C2CCNC2)cc1
Show InChI InChI=1S/C20H21F3N2O3/c21-20(22,23)28-18-7-1-14(2-8-18)10-12-27-19(26)25-17-5-3-15(4-6-17)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26)
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250106
PNG
(US10501411, Example 16 | US11697636, Example 16 | ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H17ClN2O/c18-15-5-1-13(2-6-15)17(21)20-16-7-3-12(4-8-16)14-9-10-19-11-14/h1-8,14,19H,9-11H2,(H,20,21)
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250247
PNG
(US11697636, Example 157 | US9452980, 157)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(CCC2CCCN2)cc1
Show InChI InChI=1S/C19H21ClN2O/c20-16-4-1-3-15(13-16)19(23)22-18-10-7-14(8-11-18)6-9-17-5-2-12-21-17/h1,3-4,7-8,10-11,13,17,21H,2,5-6,9,12H2,(H,22,23)
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250402
PNG
(US10501411, Example 312 | US11697636, Example 312 ...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[C@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)13-3-7-15(8-4-13)24-17(25)23-14-5-1-12(2-6-14)16-11-22-9-10-26-16/h1-8,16,22H,9-11H2,(H2,23,24,25)/t16-/m1/s1
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 0.700 -54.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250323
PNG
(US10501411, Example 233 | US11697636, Example 233 ...)
Show SMILES O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O2S/c24-19(17-13-26-20(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)18-12-21-10-11-25-18/h1-9,13,18,21H,10-12H2,(H,22,24)
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250366
PNG
(US10501411, Example 276 | US11697636, Example 276 ...)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C19H22N2O3/c1-2-23-17-9-5-15(6-10-17)19(22)21-16-7-3-14(4-8-16)18-13-20-11-12-24-18/h3-10,18,20H,2,11-13H2,1H3,(H,21,22)/t18-/m1/s1
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250241
PNG
(US11697636, Example 151 | US9452980, 151)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m0/s1
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250146
PNG
(US10501411, Example 56 | US11697636, Example 56 | ...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)C1CCNC1
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-4-1-11(2-5-14)13-7-8-20-10-13/h1-6,9,13,20H,7-8,10H2,(H,21,22)
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250226
PNG
(US10501411, Example 136 | US11697636, Example 136 ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)C1CCNC1
Show InChI InChI=1S/C18H17ClN2O2/c19-15-5-1-13(2-6-15)18(23)21-16-7-3-12(4-8-16)17(22)14-9-10-20-11-14/h1-8,14,20H,9-11H2,(H,21,23)
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250269
PNG
(US11697636, Example 179 | US9452980, 179)
Show SMILES CCOc1ccc(nc1)C(=O)Nc1ccc(cc1)C1CCCNC1
Show InChI InChI=1S/C19H23N3O2/c1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15/h5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23)
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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%, h...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250327
PNG
(US10501411, Example 237 | US11697636, Example 237 ...)
Show SMILES CCSc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C20H24N2OS/c1-2-24-19-11-7-16(8-12-19)20(23)22-18-9-5-15(6-10-18)17-4-3-13-21-14-17/h5-12,17,21H,2-4,13-14H2,1H3,(H,22,23)/t17-/m1/s1
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 0.800 -54.0n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250301
PNG
(US10501411, Example 211 | US11697636, Example 211 ...)
Show SMILES COC(=O)c1ccc(COc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show InChI InChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29)
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 0.900 -53.7n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250349
PNG
(US10501411, Example 259 | US11697636, Example 259 ...)
Show SMILES CSc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H22N2OS/c1-23-18-6-2-4-15(12-18)19(22)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3,(H,21,22)/t16-/m1/s1
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 0.900 -53.7n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250245
PNG
(US11697636, Example 155 | US9452980, 155)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(CCC2CCCN2)cc1
Show InChI InChI=1S/C20H21F3N2O/c21-20(22,23)16-8-6-15(7-9-16)19(26)25-18-11-4-14(5-12-18)3-10-17-2-1-13-24-17/h4-9,11-12,17,24H,1-3,10,13H2,(H,25,26)
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 0.900 -53.7n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250330
PNG
(US10501411, Example 240 | US11697636, Example 240 ...)
Show SMILES Clc1ccc(COC(=O)Nc2ccc(cc2)[C@@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C19H21ClN2O2/c20-17-7-3-14(4-8-17)13-24-19(23)22-18-9-5-15(6-10-18)16-2-1-11-21-12-16/h3-10,16,21H,1-2,11-13H2,(H,22,23)/t16-/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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250092
PNG
(US10501411, Example 2 | US11697648, Example 2 | US...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H20Cl2N4O/c1-23-8-10-24(11-9-23)15-5-2-13(3-6-15)21-18(25)22-14-4-7-16(19)17(20)12-14/h2-7,12H,8-11H2,1H3,(H2,21,22,25)
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 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250382
PNG
(US10501411, Example 292 | US11697636, Example 292 ...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-3-7-15(8-4-13)21-17(22)20-14-5-1-12(2-6-14)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22)
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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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250303
PNG
(US10501411, Example 213 | US11697636, Example 213 ...)
Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1Cl
Show InChI InChI=1S/C25H23ClN2O5/c1-31-25(30)21-11-10-20(14-22(21)26)33-19-8-4-17(5-9-19)24(29)28-18-6-2-16(3-7-18)23-15-27-12-13-32-23/h2-11,14,23,27H,12-13,15H2,1H3,(H,28,29)
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 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250316
PNG
(US10501411, Example 226 | US11697636, Example 226 ...)
Show SMILES Cc1cc(ccc1Cl)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H21ClN2O/c1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16/h4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t16-/m1/s1
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US Patent
 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250382
PNG
(US10501411, Example 292 | US11697636, Example 292 ...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show InChI InChI=1S/C17H18ClN3O2/c18-13-3-7-15(8-4-13)21-17(22)20-14-5-1-12(2-6-14)16-11-19-9-10-23-16/h1-8,16,19H,9-11H2,(H2,20,21,22)
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US Patent
 1 -53.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250236
PNG
(US10501411, Example 146 | US11697636, Example 146 ...)
Show SMILES Fc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C1CNCCO1
Show InChI InChI=1S/C17H16ClFN2O2/c18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
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US Patent
 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM250237
PNG
(US11697636, Example 147 | US9452980, 147)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)C1CNCCO1
Show InChI InChI=1S/C17H16Cl2N2O2/c18-14-6-3-12(9-15(14)19)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
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US Patent
 1 -53.4n/an/an/an/an/a7.437



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250324
PNG
(US10501411, Example 234 | US11697636, Example 234 ...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C19H19F3N2O/c20-19(21,22)16-5-1-3-14(11-16)18(25)24-17-8-6-13(7-9-17)15-4-2-10-23-12-15/h1,3,5-9,11,15,23H,2,4,10,12H2,(H,24,25)/t15-/m1/s1
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US Patent
 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250286
PNG
(US10501411, Example 196 | US11697636, Example 196 ...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1S/C18H20N2O2/c1-13-2-4-15(5-3-13)18(21)20-16-8-6-14(7-9-16)17-12-19-10-11-22-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
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US Patent
 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))		BDBM250266
PNG
(US11697636, Example 176 | US9452980, 176)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCCN2)cc1
Show InChI InChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)
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US Patent
 1 -53.4n/an/an/an/an/a7.437



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%, hea...

US Patent US9452980 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KVF
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%