BDBM250266 US9452980, 176

SMILES: Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCCN2)cc1

InChI Key: InChIKey=MGNGFZXDCWQENS-UHFFFAOYSA-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 = 250266   

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) (Rattus norvegicus (Rat))	BDBM250266 (US9452980, 176) Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCCN2)cc1 Show InChI InChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-12.8	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%, hea...				US Patent US9452980 (2016) BindingDB Entry DOI: 10.7270/Q2X63KVF
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1) (Mus musculus (Mouse))	BDBM250266 (US9452980, 176) Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCCN2)cc1 Show InChI InChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.3	-10.8	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 US9452980 (2016) BindingDB Entry DOI: 10.7270/Q2X63KVF
					More data for this Ligand-Target Pair