BDBM190621 US9181230, 27

SMILES: Fc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)[C@H]1CNCCO1

InChI Key: InChIKey=LDTOYTSMHSLKNJ-GOSISDBHSA-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 = 190621   

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))	BDBM190621 (US9181230, 27) Show SMILES Fc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17-12-23(22-21-17)16-7-3-14(4-8-16)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-13.3	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%, h...				US Patent US9181230 (2015) BindingDB Entry DOI: 10.7270/Q2930S0Z
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Rattus norvegicus (Rat))	BDBM190621 (US9181230, 27) Show SMILES Fc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C18H17FN4O/c19-15-5-1-13(2-6-15)17-12-23(22-21-17)16-7-3-14(4-8-16)18-11-20-9-10-24-18/h1-8,12,18,20H,9-11H2/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	56.5	-10.3	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%, h...				US Patent US9181230 (2015) BindingDB Entry DOI: 10.7270/Q2930S0Z
					More data for this Ligand-Target Pair