BDBM129520 US8802673, 162

SMILES: C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1

InChI Key: InChIKey=FECQBRYEGPGWBE-IBGZPJMESA-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 = 129520   

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) (Mus musculus (Mouse))	BDBM129520 (US8802673, 162) Show SMILES C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)15-24-12-10-20(23-24)22-18-8-6-17(7-9-18)19-14-21-11-13-25-19/h1-10,12,19,21H,11,13-15H2,(H,22,23)/t19-/m0/s1	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
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM129520 (US8802673, 162) Show SMILES C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)15-24-12-10-20(23-24)22-18-8-6-17(7-9-18)19-14-21-11-13-25-19/h1-10,12,19,21H,11,13-15H2,(H,22,23)/t19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	127	-9.78	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