BDBM330222 (RS)-1-(4-Chlorophenyl)-3-[4-(5-oxa-2-azabicyclo[2.2.2]octan-4-yl)phenyl]urea::US9663530, Example 66

SMILES: Clc1ccc(NC(=O)Nc2ccc(cc2)C23CCC(CO2)NC3)cc1

InChI Key: InChIKey=VTUKFFWLZDTJSP-UHFFFAOYSA-N

Data: 2 IC50

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 = 330222   

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 (Rattus norvegicus (Rat))	BDBM330222 ((RS)-1-(4-Chlorophenyl)-3-[4-(5-oxa-2-azabicyclo[2...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C23CCC(CO2)NC3)cc1 Show InChI InChI=1S/C19H20ClN3O2/c20-14-3-7-16(8-4-14)23-18(24)22-15-5-1-13(2-6-15)19-10-9-17(11-25-19)21-12-19/h1-8,17,21H,9-12H2,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46.5	n/a	n/a	n/a	n/a	n/a	n/a
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 ...				US Patent US9663530 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JMC
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM330222 ((RS)-1-(4-Chlorophenyl)-3-[4-(5-oxa-2-azabicyclo[2...) Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)C23CCC(CO2)NC3)cc1 Show InChI InChI=1S/C19H20ClN3O2/c20-14-3-7-16(8-4-14)23-18(24)22-15-5-1-13(2-6-15)19-10-9-17(11-25-19)21-12-19/h1-8,17,21H,9-12H2,(H2,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	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 in...				US Patent US9663530 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JMC
					More data for this Ligand-Target Pair