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Compile Data Set for Download or QSAR

Found 210 hits of ki for UniProtKB: Q923X8   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129529
PNG
(US8802673, 171)
Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1
Show InChI InChI=1S/C17H19ClN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m1/s1
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US Patent
1.10 -12.7n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129552
PNG
(US8802673, 194)
Show SMILES Clc1cc(Nc2ncc(cn2)C2CC2)ccc1[C@@H]1CNCCO1
Show InChI InChI=1S/C17H19ClN4O/c18-15-7-13(3-4-14(15)16-10-19-5-6-23-16)22-17-20-8-12(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m0/s1
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US Patent
1.10 -12.7n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129569
PNG
(US8802673, 211)
Show SMILES FC(F)(F)COc1ccnc(Nc2ccc(C3CNCCO3)c(Cl)c2)n1
Show InChI InChI=1S/C16H16ClF3N4O2/c17-12-7-10(1-2-11(12)13-8-21-5-6-25-13)23-15-22-4-3-14(24-15)26-9-16(18,19)20/h1-4,7,13,21H,5-6,8-9H2,(H,22,23,24)
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US Patent
1.10 -12.7n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129528
PNG
(US8802673, 170)
Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@@H]1CNCCO1
Show InChI InChI=1S/C17H19ClN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m0/s1
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US Patent
1.20 -12.7n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129507
PNG
(US8802673, 149)
Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)C1CNCCO1
Show InChI InChI=1S/C17H19ClN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)
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US Patent
1.40 -12.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129561
PNG
(US8802673, 203)
Show SMILES FC(F)(F)COc1cnc(Nc2ccc(C3CNCCO3)c(Cl)c2)nc1
Show InChI InChI=1S/C16H16ClF3N4O2/c17-13-5-10(1-2-12(13)14-8-21-3-4-25-14)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)
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US Patent
1.70 -12.4n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129542
PNG
(US8802673, 184)
Show SMILES FC(F)(F)COc1cnc(Nc2ccc(cc2Cl)C2CNCCO2)nc1
Show InChI InChI=1S/C16H16ClF3N4O2/c17-12-5-10(14-8-21-3-4-25-14)1-2-13(12)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)
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US Patent
2 -12.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129562
PNG
(US8802673, 204)
Show SMILES FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1
Show InChI InChI=1S/C15H14ClF3N4O/c16-12-5-10(1-2-11(12)13-8-20-3-4-24-13)23-14-21-6-9(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)/t13-/m0/s1
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US Patent
2.10 -12.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129567
PNG
(US8802673, 209)
Show SMILES Fc1cnc(Nc2ccc(C3CNCCO3)c(F)c2)nc1OCC(F)(F)F
Show InChI InChI=1S/C16H15F5N4O2/c17-11-5-9(1-2-10(11)13-7-22-3-4-26-13)24-15-23-6-12(18)14(25-15)27-8-16(19,20)21/h1-2,5-6,13,22H,3-4,7-8H2,(H,23,24,25)
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US Patent
2.5 -12.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM6562
PNG
(US8802673, 137)
Show SMILES FC(F)(F)COc1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)10-25-13-7-21-15(22-8-13)23-12-3-1-11(2-4-12)14-9-20-5-6-24-14/h1-4,7-8,14,20H,5-6,9-10H2,(H,21,22,23)/t14-/m0/s1
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US Patent
2.60 -12.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129550
PNG
(US8802673, 192)
Show SMILES Fc1cc(Nc2ncc(cn2)C2CC2)ccc1[C@@H]1CNCCO1
Show InChI InChI=1S/C17H19FN4O/c18-15-7-13(3-4-14(15)16-10-19-5-6-23-16)22-17-20-8-12(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m0/s1
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US Patent
2.60 -12.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129476
PNG
(US8802673, 118)
Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@@H]1CNCCO1
Show InChI InChI=1S/C17H19FN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m0/s1
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3 -12.1n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129549
PNG
(US8802673, 191)
Show SMILES FS(F)(F)(F)(F)c1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)cc1
Show InChI InChI=1S/C16H17F5N2OS/c17-25(18,19,20,21)15-7-5-14(6-8-15)23-13-3-1-12(2-4-13)16-11-22-9-10-24-16/h1-8,16,22-23H,9-11H2/t16-/m0/s1
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3.20 -12.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129456
PNG
(US8802673, 98)
Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C1CC1)C1CNCCO1
Show InChI InChI=1S/C17H19FN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)
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US Patent
3.30 -12.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129546
PNG
(US8802673, 188)
Show SMILES Fc1cnc(Nc2ccc(cc2)C2CNCCO2)nc1OCC(F)(F)F
Show InChI InChI=1S/C16H16F4N4O2/c17-12-7-22-15(24-14(12)26-9-16(18,19)20)23-11-3-1-10(2-4-11)13-8-21-5-6-25-13/h1-4,7,13,21H,5-6,8-9H2,(H,22,23,24)
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3.30 -12.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129566
PNG
(US8802673, 208)
Show SMILES Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1C1CNCCO1
Show InChI InChI=1S/C16H16F4N4O2/c17-12-7-10(1-2-11(12)13-8-21-5-6-25-13)23-15-22-4-3-14(24-15)26-9-16(18,19)20/h1-4,7,13,21H,5-6,8-9H2,(H,22,23,24)
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US Patent
3.5 -12.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129486
PNG
(US8802673, 128)
Show SMILES CCCc1cnc(Nc2ccc(cc2F)[C@@H]2CNCCO2)nc1
Show InChI InChI=1S/C17H21FN4O/c1-2-3-12-9-20-17(21-10-12)22-15-5-4-13(8-14(15)18)16-11-19-6-7-23-16/h4-5,8-10,16,19H,2-3,6-7,11H2,1H3,(H,20,21,22)/t16-/m0/s1
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3.90 -11.9n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129554
PNG
(US8802673, 196)
Show SMILES Fc1cc(Nc2ncc(cn2)C(F)(F)F)ccc1[C@@H]1CNCCO1
Show InChI InChI=1S/C15H14F4N4O/c16-12-5-10(1-2-11(12)13-8-20-3-4-24-13)23-14-21-6-9(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)/t13-/m0/s1
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4 -11.9n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129459
PNG
(US8802673, 101)
Show SMILES CCCc1cnc(Nc2ccc(cc2F)C2CNCCO2)nc1
Show InChI InChI=1S/C17H21FN4O/c1-2-3-12-9-20-17(21-10-12)22-15-5-4-13(8-14(15)18)16-11-19-6-7-23-16/h4-5,8-10,16,19H,2-3,6-7,11H2,1H3,(H,20,21,22)
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4.10 -11.9n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129411
PNG
(US8802673, 53)
Show SMILES Brc1cccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc12
Show InChI InChI=1S/C19H18BrN3O/c20-16-2-1-3-17-15(16)8-9-19(23-17)22-14-6-4-13(5-7-14)18-12-21-10-11-24-18/h1-9,18,21H,10-12H2,(H,22,23)/t18-/m1/s1
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4.5 -11.8n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129502
PNG
(US8802673, 144 | US8802673, 145)
Show SMILES Fc1cc(ccc1Nc1ncc(OCC(F)(F)F)cn1)[C@@H]1CNCCO1
Show InChI InChI=1S/C16H16F4N4O2/c17-12-5-10(14-8-21-3-4-25-14)1-2-13(12)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)/t14-/m0/s1
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US Patent
4.90 -11.8n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129477
PNG
(US8802673, 119)
Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1
Show InChI InChI=1S/C17H19FN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m1/s1
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5.10 -11.8n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129455
PNG
(US8802673, 97)
Show SMILES CCc1cnc(Nc2ccc(cc2F)C2CNCCO2)nc1
Show InChI InChI=1S/C16H19FN4O/c1-2-11-8-19-16(20-9-11)21-14-4-3-12(7-13(14)17)15-10-18-5-6-22-15/h3-4,7-9,15,18H,2,5-6,10H2,1H3,(H,19,20,21)
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US Patent
5.60 -11.7n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129526
PNG
(US8802673, 168 | US8802673, 169)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2Cl)C2CNCCO2)nc1
Show InChI InChI=1S/C15H14ClF3N4O/c16-11-5-9(13-8-20-3-4-24-13)1-2-12(11)23-14-21-6-10(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)
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6.5 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129560
PNG
(US8802673, 202)
Show SMILES Clc1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1
Show InChI InChI=1S/C14H14Cl2N4O/c15-9-6-18-14(19-7-9)20-10-1-2-11(12(16)5-10)13-8-17-3-4-21-13/h1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t13-/m0/s1
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6.5 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129533
PNG
(US8802673, 175)
Show SMILES FC(F)Oc1cnc(Oc2cnc(Nc3ccc(cc3Cl)[C@@H]3CNCCO3)nc2)nc1
Show InChI InChI=1S/C19H17ClF2N6O3/c20-14-5-11(16-10-23-3-4-29-16)1-2-15(14)28-18-24-6-13(7-25-18)31-19-26-8-12(9-27-19)30-17(21)22/h1-2,5-9,16-17,23H,3-4,10H2,(H,24,25,28)/t16-/m0/s1
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6.60 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129405
PNG
(US8802673, 47)
Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc2c1
Show InChI InChI=1S/C19H18ClN3O/c20-15-4-7-17-14(11-15)3-8-19(23-17)22-16-5-1-13(2-6-16)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1
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6.70 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM6564
PNG
(US8802673, 145)
Show SMILES Fc1cc(ccc1Nc1ncc(OCC(F)(F)F)cn1)[C@H]1CNCCO1
Show InChI InChI=1S/C16H16F4N4O2/c17-12-5-10(14-8-21-3-4-25-14)1-2-13(12)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)/t14-/m1/s1
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6.70 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129487
PNG
(US8802673, 129)
Show SMILES CCCc1cnc(Nc2ccc(cc2F)[C@H]2CNCCO2)nc1
Show InChI InChI=1S/C17H21FN4O/c1-2-3-12-9-20-17(21-10-12)22-15-5-4-13(8-14(15)18)16-11-19-6-7-23-16/h4-5,8-10,16,19H,2-3,6-7,11H2,1H3,(H,20,21,22)/t16-/m1/s1
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6.80 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129474
PNG
(US8802673, 116)
Show SMILES CCc1cnc(Nc2ccc(cc2F)[C@@H]2CNCCO2)nc1
Show InChI InChI=1S/C16H19FN4O/c1-2-11-8-19-16(20-9-11)21-14-4-3-12(7-13(14)17)15-10-18-5-6-22-15/h3-4,7-9,15,18H,2,5-6,10H2,1H3,(H,19,20,21)/t15-/m0/s1
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7 -11.6n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM6566
PNG
(US8802673, 134)
Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C(F)(F)F)[C@@H]1CNCCO1
Show InChI InChI=1S/C15H14F4N4O/c16-11-5-9(13-8-20-3-4-24-13)1-2-12(11)23-14-21-6-10(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)/t13-/m0/s1
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7.90 -11.5n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129506
PNG
(US8802673, 148)
Show SMILES C1CO[C@@H](CN1)c1ccc(Nc2ncc(cn2)-c2ccco2)cc1
Show InChI InChI=1S/C18H18N4O2/c1-2-16(23-8-1)14-10-20-18(21-11-14)22-15-5-3-13(4-6-15)17-12-19-7-9-24-17/h1-6,8,10-11,17,19H,7,9,12H2,(H,20,21,22)/t17-/m0/s1
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8.30 -11.5n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129384
PNG
(US8802673, 26)
Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)sc2c1
Show InChI InChI=1S/C17H16ClN3OS/c18-12-3-6-14-16(9-12)23-17(21-14)20-13-4-1-11(2-5-13)15-10-19-7-8-22-15/h1-6,9,15,19H,7-8,10H2,(H,20,21)/t15-/m1/s1
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8.30 -11.5n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129410
PNG
(US8802673, 52)
Show SMILES Clc1cccc2ccc(Nc3ccc(cc3)[C@H]3CNCCO3)nc12
Show InChI InChI=1S/C19H18ClN3O/c20-16-3-1-2-14-6-9-18(23-19(14)16)22-15-7-4-13(5-8-15)17-12-21-10-11-24-17/h1-9,17,21H,10-12H2,(H,22,23)/t17-/m1/s1
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8.40 -11.5n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129444
PNG
(US8802673, 86)
Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1
Show InChI InChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1
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9 -11.4n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129420
PNG
(US8802673, 62)
Show SMILES Cc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Br
Show InChI InChI=1S/C16H18BrN3O/c1-11-8-16(19-9-14(11)17)20-13-4-2-12(3-5-13)15-10-18-6-7-21-15/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)/t15-/m1/s1
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9.40 -11.4n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129484
PNG
(US8802673, 126)
Show SMILES Fc1cc(ccc1Nc1ncc(Br)cn1)[C@@H]1CNCCO1
Show InChI InChI=1S/C14H14BrFN4O/c15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t13-/m0/s1
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9.60 -11.4n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129479
PNG
(US8802673, 121 | US8802673, 134 | US8802673, 135)
Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C(F)(F)F)C1CNCCO1
Show InChI InChI=1S/C15H14F4N4O/c16-11-5-9(13-8-20-3-4-24-13)1-2-12(11)23-14-21-6-10(7-22-14)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2,(H,21,22,23)
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9.60 -11.4n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129545
PNG
(US8802673, 187)
Show SMILES FC(F)(F)COc1ccnc(Nc2ccc(cc2)C2CNCCO2)n1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)10-25-14-5-6-21-15(23-14)22-12-3-1-11(2-4-12)13-9-20-7-8-24-13/h1-6,13,20H,7-10H2,(H,21,22,23)
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10 -11.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129440
PNG
(US8802673, 82)
Show SMILES FC(F)(F)c1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Cl
Show InChI InChI=1S/C16H15ClF3N3O/c17-13-8-22-15(7-12(13)16(18,19)20)23-11-3-1-10(2-4-11)14-9-21-5-6-24-14/h1-4,7-8,14,21H,5-6,9H2,(H,22,23)/t14-/m1/s1
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10.1 -11.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129565
PNG
(US8802673, 207)
Show SMILES Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1C1CNCCO1
Show InChI InChI=1S/C16H16F4N4O2/c17-13-5-10(1-2-12(13)14-8-21-3-4-25-14)24-15-22-6-11(7-23-15)26-9-16(18,19)20/h1-2,5-7,14,21H,3-4,8-9H2,(H,22,23,24)
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10.2 -11.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129475
PNG
(US8802673, 117)
Show SMILES CCc1cnc(Nc2ccc(cc2F)[C@H]2CNCCO2)nc1
Show InChI InChI=1S/C16H19FN4O/c1-2-11-8-19-16(20-9-11)21-14-4-3-12(7-13(14)17)15-10-18-5-6-22-15/h3-4,7-9,15,18H,2,5-6,10H2,1H3,(H,19,20,21)/t15-/m1/s1
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10.4 -11.3n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129402
PNG
(US8802673, 44)
Show SMILES C1CO[C@H](CN1)c1ccc(Nc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H20N2O/c1-2-4-17-13-19(10-5-15(17)3-1)22-18-8-6-16(7-9-18)20-14-21-11-12-23-20/h1-10,13,20-22H,11-12,14H2/t20-/m1/s1
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11.8 -11.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129460
PNG
(US8802673, 102)
Show SMILES Fc1cc(ccc1Nc1ncc(Br)cn1)C1CNCCO1
Show InChI InChI=1S/C14H14BrFN4O/c15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)
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12.6 -11.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129499
PNG
(US8802673, 141)
Show SMILES COc1ccc(cc1OC)-c1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
Show InChI InChI=1S/C22H24N4O3/c1-27-19-8-5-16(11-20(19)28-2)17-12-24-22(25-13-17)26-18-6-3-15(4-7-18)21-14-23-9-10-29-21/h3-8,11-13,21,23H,9-10,14H2,1-2H3,(H,24,25,26)/t21-/m1/s1
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US Patent
12.9 -11.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129375
PNG
(US8802673, 17)
Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
Show InChI InChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m1/s1
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13.1 -11.2n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129412
PNG
(US8802673, 54)
Show SMILES Clc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)nc2ccccc12
Show InChI InChI=1S/C19H18ClN3O/c20-16-11-19(23-17-4-2-1-3-15(16)17)22-14-7-5-13(6-8-14)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1
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13.8 -11.1n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129500
PNG
(US8802673, 142)
Show SMILES COc1ccc(cc1OC)-c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1
Show InChI InChI=1S/C22H24N4O3/c1-27-19-8-5-16(11-20(19)28-2)17-12-24-22(25-13-17)26-18-6-3-15(4-7-18)21-14-23-9-10-29-21/h3-8,11-13,21,23H,9-10,14H2,1-2H3,(H,24,25,26)/t21-/m0/s1
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14.6 -11.1n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129530
PNG
(US8802673, 172)
Show SMILES FC(F)(F)COc1ccnc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)10-25-14-5-6-21-15(23-14)22-12-3-1-11(2-4-12)13-9-20-7-8-24-13/h1-6,13,20H,7-10H2,(H,21,22,23)/t13-/m0/s1
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16.2 -11.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM129458
PNG
(US8802673, 100)
Show SMILES CCOc1cnc(Nc2ccc(cc2F)C2CNCCO2)nc1
Show InChI InChI=1S/C16H19FN4O2/c1-2-22-12-8-19-16(20-9-12)21-14-4-3-11(7-13(14)17)15-10-18-5-6-23-15/h3-4,7-9,15,18H,2,5-6,10H2,1H3,(H,19,20,21)
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16.4 -11.0n/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%, heat i...


US Patent US8802673 (2014)


BindingDB Entry DOI: 10.7270/Q2348J2G
More data for this
Ligand-Target Pair
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