BDBM129444 US8802673, 86

SMILES: C1CC1c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1

InChI Key: InChIKey=LTCPIUJIWPHWDB-INIZCTEOSA-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 = 129444   

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))	BDBM129444 (US8802673, 86) Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	-12.2	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))	BDBM129444 (US8802673, 86) Show SMILES C1CC1c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1 |r| Show InChI InChI=1S/C17H20N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21)/t16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	-11.4	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 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