Compile Data Set for Download or QSAR

Found 421 hits Enz. Inhib. hit(s) with all data for entry = 6442   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129410 (US8802673, 52) Show SMILES Clc1cccc2ccc(Nc3ccc(cc3)[C@H]3CNCCO3)nc12 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-55.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129420 (US8802673, 62) Show SMILES Cc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Br |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-55.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129366 (US8802673, 8) Show SMILES Clc1ccc(Nc2ccc(cc2)C2CNCCO2)cc1 Show InChI InChI=1S/C16H17ClN2O/c17-13-3-7-15(8-4-13)19-14-5-1-12(2-6-14)16-11-18-9-10-20-16/h1-8,16,18-19H,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-55.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129441 (US8802673, 83) Show SMILES Cc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Cl |r| Show InChI InChI=1S/C16H18ClN3O/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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129522 (US8802673, 164) Show SMILES C1CO[C@@H](CN1)c1ccc(Nc2ccn(n2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C19H20N4O/c1-2-4-17(5-3-1)23-12-10-19(22-23)21-16-8-6-15(7-9-16)18-14-20-11-13-24-18/h1-10,12,18,20H,11,13-14H2,(H,21,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129402 (US8802673, 44) Show SMILES C1CO[C@H](CN1)c1ccc(Nc2ccc3ccccc3c2)cc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129440 (US8802673, 82) Show SMILES FC(F)(F)c1cc(Nc2ccc(cc2)[C@H]2CNCCO2)ncc1Cl |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129412 (US8802673, 54) Show SMILES Clc1cc(Nc2ccc(cc2)[C@H]2CNCCO2)nc2ccccc12 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129404 (US8802673, 46) Show SMILES C1CO[C@H](CN1)c1ccc(Nc2ccc3ccccc3n2)cc1 |r| Show InChI InChI=1S/C19H19N3O/c1-2-4-17-14(3-1)7-10-19(22-17)21-16-8-5-15(6-9-16)18-13-20-11-12-23-18/h1-10,18,20H,11-13H2,(H,21,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129457 (US8802673, 99) Show SMILES Fc1cc(ccc1Nc1ccc(Cl)cn1)C1CNCCO1 Show InChI InChI=1S/C15H15ClFN3O/c16-11-2-4-15(19-8-11)20-13-3-1-10(7-12(13)17)14-9-18-5-6-21-14/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129529 (US8802673, 171) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129505 (US8802673, 147) Show SMILES C1CO[C@H](CN1)c1ccc(Nc2ncc(cn2)-c2ccco2)cc1 |r| 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-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-53.7	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129549 (US8802673, 191) Show SMILES FS(F)(F)(F)(F)c1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)cc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-53.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129507 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 7b (Rattus norvegicus (Rat))	BDBM129529 (US8802673, 171) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1 |r| 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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
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 7b (Rattus norvegicus (Rat))	BDBM129552 (US8802673, 194) Show SMILES Clc1cc(Nc2ncc(cn2)C2CC2)ccc1[C@@H]1CNCCO1 |r| 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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
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 7b (Rattus norvegicus (Rat))	BDBM129569 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
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 (Mus musculus (Mouse))	BDBM129363 (US8802673, 5) Show SMILES Clc1ccc(Nc2ccc(cc2)C2CNCCO2)nc1 Show InChI InChI=1S/C15H16ClN3O/c16-12-3-6-15(18-9-12)19-13-4-1-11(2-5-13)14-10-17-7-8-20-14/h1-6,9,14,17H,7-8,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129396 (US8802673, 38) Show SMILES Clc1ccc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C15H16ClN3O/c16-12-3-6-15(18-9-12)19-13-4-1-11(2-5-13)14-10-17-7-8-20-14/h1-6,9,14,17H,7-8,10H2,(H,18,19)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129471 (US8802673, 113) Show SMILES C1CO[C@H](CN1)c1ccc(Nc2cc(n[nH]2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C19H20N4O/c1-2-4-14(5-3-1)17-12-19(23-22-17)21-16-8-6-15(7-9-16)18-13-20-10-11-24-18/h1-9,12,18,20H,10-11,13H2,(H2,21,22,23)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129411 (US8802673, 53) Show SMILES Brc1cccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc12 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 7b (Rattus norvegicus (Rat))	BDBM129528 (US8802673, 170) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@@H]1CNCCO1 |r| 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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	37
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 (Mus musculus (Mouse))	BDBM129405 (US8802673, 47) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-53.0	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129443 (US8802673, 85) Show SMILES Cc1cc(Nc2ccc(cc2C)C2CNCCO2)ncc1Br Show InChI InChI=1S/C17H20BrN3O/c1-11-8-17(20-9-14(11)18)21-15-4-3-13(7-12(15)2)16-10-19-5-6-22-16/h3-4,7-9,16,19H,5-6,10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129427 (US8802673, 69) Show SMILES Clc1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C15H16ClN3O/c16-12-3-6-15(18-9-12)19-13-4-1-11(2-5-13)14-10-17-7-8-20-14/h1-6,9,14,17H,7-8,10H2,(H,18,19)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 7b (Rattus norvegicus (Rat))	BDBM129507 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	37
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 (Mus musculus (Mouse))	BDBM129368 (US8802673, 10) Show SMILES Brc1ccc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C15H16BrN3O/c16-12-3-6-15(18-9-12)19-13-4-1-11(2-5-13)14-10-17-7-8-20-14/h1-6,9,14,17H,7-8,10H2,(H,18,19)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129442 (US8802673, 84) Show SMILES Cc1cc(Nc2ccc(cc2C)C2CNCCO2)ncc1Cl Show InChI InChI=1S/C17H20ClN3O/c1-11-8-17(20-9-14(11)18)21-15-4-3-13(7-12(15)2)16-10-19-5-6-22-16/h3-4,7-9,16,19H,5-6,10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129369 (US8802673, 11) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)C2CNCCO2)nc1 Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)12-3-6-15(21-9-12)22-13-4-1-11(2-5-13)14-10-20-7-8-23-14/h1-6,9,14,20H,7-8,10H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129528 (US8802673, 170) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@@H]1CNCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129519 (US8802673, 161) Show SMILES C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)15-24-12-10-20(23-24)22-18-8-6-17(7-9-18)19-14-21-11-13-25-19/h1-10,12,19,21H,11,13-15H2,(H,22,23)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129546 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129553 (US8802673, 195) Show SMILES Fc1cc(Nc2ncc(cn2)C2CC2)ccc1[C@H]1CNCCO1 |r| 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-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129506 (US8802673, 148) Show SMILES C1CO[C@@H](CN1)c1ccc(Nc2ncc(cn2)-c2ccco2)cc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129375 (US8802673, 17) Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 7b (Rattus norvegicus (Rat))	BDBM129561 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	37
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 (Mus musculus (Mouse))	BDBM129542 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129384 (US8802673, 26) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)sc2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129379 (US8802673, 21) Show SMILES CCCc1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C17H22N4O/c1-2-3-13-10-19-17(20-11-13)21-15-6-4-14(5-7-15)16-12-18-8-9-22-16/h4-7,10-11,16,18H,2-3,8-9,12H2,1H3,(H,19,20,21)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129520 (US8802673, 162) Show SMILES C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)15-24-12-10-20(23-24)22-18-8-6-17(7-9-18)19-14-21-11-13-25-19/h1-10,12,19,21H,11,13-15H2,(H,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 7b (Rattus norvegicus (Rat))	BDBM129542 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-51.6	n/a	n/a	n/a	n/a	n/a	7.4	37
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 7b (Rattus norvegicus (Rat))	BDBM129562 (US8802673, 204) Show SMILES FC(F)(F)c1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1 |r| 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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	37
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 (Mus musculus (Mouse))	BDBM129552 (US8802673, 194) Show SMILES Clc1cc(Nc2ncc(cn2)C2CC2)ccc1[C@@H]1CNCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129545 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	-51.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129561 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129415 (US8802673, 57) Show SMILES Fc1cc(Br)cnc1Nc1ccc(cc1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C15H15BrFN3O/c16-11-7-13(17)15(19-8-11)20-12-3-1-10(2-4-12)14-9-18-5-6-21-14/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	-51.3	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129400 (US8802673, 42) Show SMILES FC(F)(F)c1ccnc(Nc2ccc(cc2)[C@H]2CNCCO2)c1 |r| Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)12-5-6-21-15(9-12)22-13-3-1-11(2-4-13)14-10-20-7-8-23-14/h1-6,9,14,20H,7-8,10H2,(H,21,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	-51.3	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129444 (US8802673, 86) Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-51.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129434 (US8802673, 76) Show SMILES Cc1cc(ccc1Nc1ccc(Br)cn1)C1CNCCO1 Show InChI InChI=1S/C16H18BrN3O/c1-11-8-12(15-10-18-6-7-21-15)2-4-14(11)20-16-5-3-13(17)9-19-16/h2-5,8-9,15,18H,6-7,10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-51.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM129477 (US8802673, 119) Show SMILES Fc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Hoffmann-La Roche Inc US Patent					Assay Description HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat ina...				US Patent US8802673 (2014) BindingDB Entry DOI: 10.7270/Q2348J2G
					More data for this Ligand-Target Pair

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