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Compile Data Set for Download or QSAR

Found 2248 hits with Last Name = 'groebke zbinden' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122323
PNG
(US8729113, 35)
Show SMILES NC1=N[C@@H](CCOc2cccc(Br)c2)CO1
Show InChI InChI=1S/C11H13BrN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
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US Patent
0.100 -53.1n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109401
PNG
(US8604061, 115)
Show SMILES Cc1cccc(CC[C@H]2COC(N)=N2)c1
Show InChI InChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)5-6-11-8-15-12(13)14-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14)/t11-/m0/s1
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US Patent
0.100n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250244
PNG
(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 (TAAR1)


(Mus musculus (Mouse))
BDBM109462
PNG
(US8604061, 201)
Show SMILES NC1=N[C@H](CO1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C9H8Cl2N2O/c10-6-1-5(2-7(11)3-6)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
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0.200n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109373
PNG
(US8604061, 48)
Show SMILES NC1=N[C@@H](Cc2cccc3ccccc23)CO1
Show InChI InChI=1S/C14H14N2O/c15-14-16-12(9-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9H2,(H2,15,16)/t12-/m0/s1
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0.200n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122301
PNG
(US8729113, 8)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)c(Cl)c2)CO1
Show InChI InChI=1S/C11H12ClFN2O2/c12-9-5-8(1-2-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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US Patent
0.200 -51.5n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250212
PNG
(US10501411, Example 122 | US9452980, 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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0.300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122298
PNG
(US8729113, 5)
Show SMILES NC1=N[C@@H](CCOc2cccc(Cl)c2)CO1
Show InChI InChI=1S/C11H13ClN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
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US Patent
0.300 -50.5n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109564
PNG
(US8604061, 354)
Show SMILES NC1=N[C@@H](COc2ccccc2F)CO1
Show InChI InChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,7H,5-6H2,(H2,12,13)/t7-/m0/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250215
PNG
(US10501411, Example 125 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM109408
PNG
(US8604061, 127)
Show SMILES NC1=N[C@@H](CCc2ccc(Cl)c(Cl)c2)CO1
Show InChI InChI=1S/C11H12Cl2N2O/c12-9-4-2-7(5-10(9)13)1-3-8-6-16-11(14)15-8/h2,4-5,8H,1,3,6H2,(H2,14,15)/t8-/m0/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250218
PNG
(US10501411, Example 128 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM122333
PNG
(US8729113, 57)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)c(Cl)c2)CO1
Show InChI InChI=1S/C11H12Cl2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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0.300 -50.5n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250215
PNG
(US10501411, Example 125 | US9452980, 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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0.300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250218
PNG
(US10501411, Example 128 | US9452980, 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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0.300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250218
PNG
(US10501411, Example 128 | US9452980, 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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250242
PNG
(US9452980, 152)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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 (TAAR1)


(Mus musculus (Mouse))
BDBM250212
PNG
(US10501411, Example 122 | US9452980, 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


(Rattus norvegicus (Rat))
BDBM250218
PNG
(US10501411, Example 128 | US9452980, 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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0.300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: 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 concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250240
PNG
(US9452980, 150)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[C@H]1CCCNC1
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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250232
PNG
(US10501411, Example 142 | US9452980, 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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250211
PNG
(US10501411, Example 121 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM122380
PNG
(US8729113, 136)
Show SMILES NC1=N[C@@H](CCOc2cccc(c2)C(=O)OCc2ccccc2)CO1
Show InChI InChI=1S/C19H20N2O4/c20-19-21-16(13-25-19)9-10-23-17-8-4-7-15(11-17)18(22)24-12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H2,20,21)/t16-/m0/s1
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0.400 -49.9n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122318
PNG
(US8729113, 30)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C14H17ClN2O/c15-11-3-1-10(2-4-11)14(7-8-14)6-5-12-9-18-13(16)17-12/h1-4,12H,5-9H2,(H2,16,17)/t12-/m0/s1
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0.400 -49.9n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109528
PNG
(US8604061, 298)
Show SMILES NC1=N[C@H](CO1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C9H8Cl2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
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0.400n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109580
PNG
(US8604061, 296)
Show SMILES NC1=N[C@H](CO1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C9H8Cl2N2O/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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US Patent
0.400n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109446
PNG
(US8604061, 178)
Show SMILES NC1=N[C@H](CO1)c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C9H8ClFN2O/c10-6-1-5(2-7(11)3-6)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
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0.400n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109390
PNG
(US8604061, 103)
Show SMILES NC1=N[C@H](CO1)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H12N2O/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8H2,(H2,14,15)/t12-/m1/s1
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0.400n/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)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM250232
PNG
(US10501411, Example 142 | US9452980, 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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0.400n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: 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 concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM250211
PNG
(US10501411, Example 121 | US9452980, 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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US Patent
0.400n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: 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 concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250210
PNG
(US10501411, Example 120 | US9452980, 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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0.400n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250210
PNG
(US10501411, Example 120 | US9452980, 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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250393
PNG
(US10501411, Example 303 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM250122
PNG
(US10501411, Example 32 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM250211
PNG
(US10501411, Example 121 | US9452980, 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 (TAAR1)


(Mus musculus (Mouse))
BDBM250401
PNG
(US10501411, Example 311 | US9452980, 311)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CNCCO2)cc1
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))
BDBM250393
PNG
(US10501411, Example 303 | US9452980, 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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: 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 concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250401
PNG
(US10501411, Example 311 | US9452980, 311)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CNCCO2)cc1
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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250110
PNG
(US10501411, Example 20 | US9452980, 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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250122
PNG
(US10501411, Example 32 | US9452980, 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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM250211
PNG
(US10501411, Example 121 | US9452980, 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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Mouse: 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 concen...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM250147
PNG
(US10501411, Example 57 | US9452980, 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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Hoffmann-La Roche Inc.

US Patent


Assay Description
Rat: 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 concentr...


US Patent US10501411 (2019)


BindingDB Entry DOI: 10.7270/Q27S7R5Q
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM109356
PNG
(US8604061, 14)
Show SMILES NC1=NC(CO1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H8Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)
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Hoffmann-La Roche Inc

US Patent


Assay Description
Radioligand binding assay using TAAR1.


US Patent US8604061 (2013)


BindingDB Entry DOI: 10.7270/Q22V2DRF
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122296
PNG
(US8729113, 3)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C11H13ClN2O2/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,9H,5-7H2,(H2,13,14)/t9-/m0/s1
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0.5 -49.3n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122319
PNG
(US8729113, 31)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccccc2)CO1
Show InChI InChI=1S/C14H18N2O/c15-13-16-12(10-17-13)6-7-14(8-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,16)/t12-/m0/s1
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UniChem

Similars

US Patent
0.5 -49.3n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM122385
PNG
(US8729113, 144)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(Br)cc2)CO1
Show InChI InChI=1S/C14H17BrN2O/c15-11-3-1-10(2-4-11)14(7-8-14)6-5-12-9-18-13(16)17-12/h1-4,12H,5-9H2,(H2,16,17)/t12-/m0/s1
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UniChem

Similars

US Patent
0.5 -49.3n/an/an/an/an/an/a4



Hoffmann-La Roche Inc

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...


US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250147
PNG
(US10501411, Example 57 | US9452980, 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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US Patent
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 (TAAR1)


(Rattus norvegicus (Rat))
BDBM250243
PNG
(US9452980, 153)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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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US Patent
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
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