BDBM240684 US9416127, 21

SMILES: CCOc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1

InChI Key: InChIKey=JTGDHRMRNSDTJE-HXUWFJFHSA-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 = 240684   

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))	BDBM240684 (US9416127, 21) Show SMILES CCOc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-14-19(24-25-26)21(27)23-16-5-3-15(4-6-16)20-13-22-11-12-29-20/h3-10,14,20,22H,2,11-13H2,1H3,(H,23,27)/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	-12.4	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%, h...				US Patent US9416127 (2016) BindingDB Entry DOI: 10.7270/Q22R3QK8
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM240684 (US9416127, 21) Show SMILES CCOc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H23N5O3/c1-2-28-18-9-7-17(8-10-18)26-14-19(24-25-26)21(27)23-16-5-3-15(4-6-16)20-13-22-11-12-29-20/h3-10,14,20,22H,2,11-13H2,1H3,(H,23,27)/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	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 i...				US Patent US9416127 (2016) BindingDB Entry DOI: 10.7270/Q22R3QK8
					More data for this Ligand-Target Pair