Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trace amine-associated receptor 1' and Ligand = 'BDBM129561'   

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))	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
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