Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with all data for entry = 1964   

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))	BDBM348693 (N-(4-Chlorophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...) Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348694 (N-(4-Bromophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicyclo...) Show SMILES Brc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C18H17BrN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348696 (N-(4-Ethoxyphenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...) Show SMILES CCOc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-7-15(8-10-16)22-20(23)14-5-3-13(4-6-14)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348697 (4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C19H17F3N2O2/c20-19(21,22)13-5-7-14(8-6-13)24-18(25)12-3-1-11(2-4-12)17-16-9-15(26-17)10-23-16/h1-8,15-17,23H,9-10H2,(H,24,25)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM348727 (2-Isopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2....) Show SMILES CC(C)N\C(=C/C(=N)OCC(F)(F)F)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C20H25F3N4O3/c1-11(2)26-16(8-17(24)29-10-20(21,22)23)19(28)27-13-5-3-12(4-6-13)18-15-7-14(30-18)9-25-15/h3-6,8,11,14-15,18,24-26H,7,9-10H2,1-2H3,(H,27,28)/b16-8-,24-17?/t14-,15-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM348641 (1-[3-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)[C@@H]2O[C@H]3CN[C@@H]2C3)cc1 |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)12-4-6-13(7-5-12)24-18(26)25-14-3-1-2-11(8-14)17-16-9-15(27-17)10-23-16/h1-8,15-17,23H,9-10H2,(H2,24,25,26)/t15-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348706 (4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H23ClN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348698 (N-(6-Chloro-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...) Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r| Show InChI InChI=1S/C17H16ClN3O2/c18-15-6-5-12(8-20-15)21-17(22)11-3-1-10(2-4-11)16-14-7-13(23-16)9-19-14/h1-6,8,13-14,16,19H,7,9H2,(H,21,22)/t13-,14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348702 (N-[(4-Chlorophenyl)methyl]-4-[(1S,3R,4S)-2-oxa-5-a...) Show SMILES Clc1ccc(CNC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C19H19ClN2O2/c20-15-7-1-12(2-8-15)10-22-19(23)14-5-3-13(4-6-14)18-17-9-16(24-18)11-21-17/h1-8,16-18,21H,9-11H2,(H,22,23)/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348662 (5-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1ccc(Nc2ccc(cc2)[C@@H]2O[C@H]3CN[C@@H]2C3)nc1 |r| Show InChI InChI=1S/C16H16ClN3O/c17-11-3-6-15(19-8-11)20-12-4-1-10(2-5-12)16-14-7-13(21-16)9-18-14/h1-6,8,13-14,16,18H,7,9H2,(H,19,20)/t13-,14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348730 (3-Butyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...) Show SMILES CCCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H25FN4O2/c1-2-3-4-14(21)16(20)17(22)19(25)24-12-7-5-11(6-8-12)18-15-9-13(26-18)10-23-15/h5-8,13,15,18,21,23H,2-4,9-10,22H2,1H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348691 ((1S,3R,4S)-3-(4-Bromophenyl)-2-oxa-5-azabicyclo[2....) Show SMILES Brc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C11H12BrNO/c12-8-3-1-7(2-4-8)11-10-5-9(14-11)6-13-10/h1-4,9-11,13H,5-6H2/t9-,10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348701 (4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)15-7-1-12(2-8-15)10-25-19(26)14-5-3-13(4-6-14)18-17-9-16(27-18)11-24-17/h1-8,16-18,24H,9-11H2,(H,25,26)/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348695 (N-(4-Fluorophenyl)-4-[(1S,3R,4S)-2-oxa-5-azabicycl...) Show SMILES Fc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C18H17FN2O2/c19-13-5-7-14(8-6-13)21-18(22)12-3-1-11(2-4-12)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348689 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)COc1ccc(nc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)10-27-13-5-6-15(23-8-13)18(26)25-12-3-1-11(2-4-12)17-16-7-14(28-17)9-24-16/h1-6,8,14,16-17,24H,7,9-10H2,(H,25,26)/t14-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348737 (4-Bromo-3-ethyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicycl...) Show SMILES CCC(=N)C(\Br)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C17H21BrN4O2/c1-2-12(19)14(18)15(20)17(23)22-10-5-3-9(4-6-10)16-13-7-11(24-16)8-21-13/h3-6,11,13,16,19,21H,2,7-8,20H2,1H3,(H,22,23)/b15-14+,19-12?/t11-,13-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348671 (1-(4-Chlorophenyl)-3-[4-[(1S,3R,4S)-2-oxa-5-azabic...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C18H18ClN3O2/c19-12-3-7-14(8-4-12)22-18(23)21-13-5-1-11(2-6-13)17-16-9-15(24-17)10-20-16/h1-8,15-17,20H,9-10H2,(H2,21,22,23)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348720 (4-Chloro-3-cyclopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...) Show SMILES N\C(C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)=C(\Cl)C(=N)C1CC1 |r| Show InChI InChI=1S/C18H21ClN4O2/c19-14(15(20)9-1-2-9)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,1-2,7-8,21H2,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348649 (N-[4-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@@H]2O[C@H]3CN[C@@H]2C3)nc1 |r| Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348658 (5-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1 |r| Show InChI InChI=1S/C16H16ClN3O/c17-11-3-6-15(19-8-11)20-12-4-1-10(2-5-12)16-14-7-13(21-16)9-18-14/h1-6,8,13-14,16,18H,7,9H2,(H,19,20)/t13-,14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348683 (4-Chloro-3-ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicy...) Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348648 (3-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H17ClN2O2/c19-13-3-1-2-12(8-13)18(22)21-14-6-4-11(5-7-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348731 (3-Butyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]...) Show SMILES CCCCC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-13(20)9-16(21)19(24)23-14-7-5-12(6-8-14)18-17-10-15(25-18)11-22-17/h5-9,15,17-18,20,22H,2-4,10-11,21H2,1H3,(H,23,24)/b16-9-,20-13?/t15-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348716 (4-Fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCCC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H23FN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348666 (4-Ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-5-14(6-10-16)20(23)22-15-7-3-13(4-8-15)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348690 (4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...) Show SMILES FC(F)(F)Oc1ccc(CNc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C19H19F3N2O2/c20-19(21,22)26-15-7-1-12(2-8-15)10-23-14-5-3-13(4-6-14)18-17-9-16(25-18)11-24-17/h1-8,16-18,23-24H,9-11H2/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348645 (4-Chloro-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348687 (4-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C18H23ClN4O2/c1-2-3-13(20)15(19)16(21)18(24)23-11-6-4-10(5-7-11)17-14-8-12(25-17)9-22-14/h4-7,12,14,17,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b16-15+,20-13?/t12-,14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348646 (3-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C18H17ClN2O2/c19-13-3-1-2-12(8-13)18(22)21-14-6-4-11(5-7-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348714 (4-Chloro-3-ethyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyc...) Show SMILES CCC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C17H21ClN4O2/c1-2-12(19)14(18)15(20)17(23)22-10-5-3-9(4-6-10)16-13-7-11(24-16)8-21-13/h3-6,11,13,16,19,21H,2,7-8,20H2,1H3,(H,22,23)/b15-14+,19-12?/t11-,13-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348715 (3-Cyclopropyl-4-fluoro-N-[4-[(1R,3S,4R)-2-oxa-5-az...) Show SMILES N\C(C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)=C(\F)C(=N)C1CC1 |r| Show InChI InChI=1S/C18H21FN4O2/c19-14(15(20)9-1-2-9)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,1-2,7-8,21H2,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348700 (N-(6-Ethoxy-3-pyridyl)-4-[(1S,3R,4S)-2-oxa-5-azabi...) Show SMILES CCOc1ccc(NC(=O)c2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r| Show InChI InChI=1S/C19H21N3O3/c1-2-24-17-8-7-14(10-21-17)22-19(23)13-5-3-12(4-6-13)18-16-9-15(25-18)11-20-16/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23)/t15-,16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348652 (4-Chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C18H17ClN2O2/c19-13-5-1-12(2-6-13)18(22)21-14-7-3-11(4-8-14)17-16-9-15(23-17)10-20-16/h1-8,15-17,20H,9-10H2,(H,21,22)/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM348691 ((1S,3R,4S)-3-(4-Bromophenyl)-2-oxa-5-azabicyclo[2....) Show SMILES Brc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C11H12BrNO/c12-8-3-1-7(2-4-8)11-10-5-9(14-11)6-13-10/h1-4,9-11,13H,5-6H2/t9-,10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348709 (N-[4-[(1R,3S,4R)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1ccc(nc1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H16F3N3O2/c19-18(20,21)11-3-6-14(22-8-11)17(25)24-12-4-1-10(2-5-12)16-15-7-13(26-16)9-23-15/h1-6,8,13,15-16,23H,7,9H2,(H,24,25)/t13-,15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348739 (3-Isobutyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2...) Show SMILES CC(C)CC(=N)\C=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H26N4O2/c1-11(2)7-13(20)8-16(21)19(24)23-14-5-3-12(4-6-14)18-17-9-15(25-18)10-22-17/h3-6,8,11,15,17-18,20,22H,7,9-10,21H2,1-2H3,(H,23,24)/b16-8-,20-13?/t15-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348738 (4-Fluoro-3-isobutyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabi...) Show SMILES CC(C)CC(=N)C(\F)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H25FN4O2/c1-10(2)7-14(21)16(20)17(22)19(25)24-12-5-3-11(4-6-12)18-15-8-13(26-18)9-23-15/h3-6,10,13,15,18,21,23H,7-9,22H2,1-2H3,(H,24,25)/b17-16+,21-14?/t13-,15-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348717 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)COc1ccnc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1 |r| Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-14-5-6-21-16(24-14)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348651 (6-Ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCOc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H21N3O3/c1-2-24-17-8-5-13(10-21-17)19(23)22-14-6-3-12(4-7-14)18-16-9-15(25-18)11-20-16/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23)/t15-,16-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348670 (4-(Cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-az...) Show SMILES O=C(Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2)c1ccc(OCC2CC2)cc1 |r| Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348655 (4-Ethoxy-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1...) Show SMILES CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1O[C@@H]2CN[C@H]1C2 |r| Show InChI InChI=1S/C20H22N2O3/c1-2-24-16-9-5-14(6-10-16)20(23)22-15-7-3-13(4-8-15)19-18-11-17(25-19)12-21-18/h3-10,17-19,21H,2,11-12H2,1H3,(H,22,23)/t17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348707 (3-Cyclopropyl-4-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-az...) Show SMILES C\C(C(=N)C1CC1)=C(\N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C19H24N4O2/c1-10(16(20)11-2-3-11)17(21)19(24)23-13-6-4-12(5-7-13)18-15-8-14(25-18)9-22-15/h4-7,11,14-15,18,20,22H,2-3,8-9,21H2,1H3,(H,23,24)/b17-10-,20-16?/t14-,15-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348650 (4-(Cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-az...) Show SMILES O=C(Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2)c1ccc(OCC2CC2)cc1 |r| Show InChI InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348736 (4-Chloro-3-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicy...) Show SMILES CCOC(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C17H21ClN4O3/c1-2-24-16(20)13(18)14(19)17(23)22-10-5-3-9(4-6-10)15-12-7-11(25-15)8-21-12/h3-6,11-12,15,20-21H,2,7-8,19H2,1H3,(H,22,23)/b14-13+,20-16?/t11-,12-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348677 (4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3-yl...) Show SMILES FC(F)(F)c1ccc(CNc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cc1 |r| Show InChI InChI=1S/C19H19F3N2O/c20-19(21,22)14-5-1-12(2-6-14)10-23-15-7-3-13(4-8-15)18-17-9-16(25-18)11-24-17/h1-8,16-18,23-24H,9-11H2/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348657 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)nc1 |r| Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t13-,14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348660 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r| Show InChI InChI=1S/C16H15F3N4O/c17-16(18,19)13-7-22-14(8-21-13)23-10-3-1-9(2-4-10)15-12-5-11(24-15)6-20-12/h1-4,7-8,11-12,15,20H,5-6H2,(H,22,23)/t11-,12-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348699 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)cn1 |r| Show InChI InChI=1S/C17H16F3N3O/c18-17(19,20)15-6-5-12(8-22-15)23-11-3-1-10(2-4-11)16-14-7-13(24-16)9-21-14/h1-6,8,13-14,16,21,23H,7,9H2/t13-,14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348718 (N-[4-[(1S,3R,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-3...) Show SMILES FC(F)(F)COc1nccc(Nc2ccc(cc2)[C@H]2O[C@@H]3CN[C@H]2C3)n1 |r| Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)9-25-16-21-6-5-14(24-16)23-11-3-1-10(2-4-11)15-13-7-12(26-15)8-22-13/h1-6,12-13,15,22H,7-9H2,(H,21,23,24)/t12-,13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM348740 (4-Chloro-3-isopropyl-N-[4-[(1R,3S,4R)-2-oxa-5-azab...) Show SMILES CC(C)C(=N)C(\Cl)=C(/N)C(=O)Nc1ccc(cc1)[C@@H]1O[C@H]2CN[C@@H]1C2 |r| Show InChI InChI=1S/C18H23ClN4O2/c1-9(2)15(20)14(19)16(21)18(24)23-11-5-3-10(4-6-11)17-13-7-12(25-17)8-22-13/h3-6,9,12-13,17,20,22H,7-8,21H2,1-2H3,(H,23,24)/b16-14+,20-15?/t12-,13-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
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 in...				US Patent US9790230 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T8R
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 212 total )  |  Next  |  Last  >>

Jump to: