BDBM129542 US8802673, 184

SMILES: FC(F)(F)COc1cnc(Nc2ccc(cc2Cl)C2CNCCO2)nc1

InChI Key: InChIKey=GKZIIVLHQPGYIY-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 129542   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trace amine-associated receptor 1 (TAAR1) (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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-12.3	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 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 (TAAR1) (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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-12.3	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