Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM330169'   

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))	BDBM330169 ((RS)—N-[4-(5-Oxa-2-azabicyclo[2.2.2]octan-4-y...) Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)Nc1ccc(cc1)C12CCC(CO1)NC2 Show InChI InChI=1S/C20H20F3N3O3/c21-20(22,23)12-28-17-6-1-13(9-24-17)18(27)26-15-4-2-14(3-5-15)19-8-7-16(10-29-19)25-11-19/h1-6,9,16,25H,7-8,10-12H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.4	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 US9663530 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JMC
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM330169 ((RS)—N-[4-(5-Oxa-2-azabicyclo[2.2.2]octan-4-y...) Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)Nc1ccc(cc1)C12CCC(CO1)NC2 Show InChI InChI=1S/C20H20F3N3O3/c21-20(22,23)12-28-17-6-1-13(9-24-17)18(27)26-15-4-2-14(3-5-15)19-8-7-16(10-29-19)25-11-19/h1-6,9,16,25H,7-8,10-12H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	624	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 US9663530 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JMC
					More data for this Ligand-Target Pair