Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM348727'   

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 (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 (Mus musculus (Mouse))	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	28	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