BDBM129405 US8802673, 47

SMILES: Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc2c1

InChI Key: InChIKey=XMLBYWQJCMZIQJ-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 = 129405   

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))	BDBM129405 (US8802673, 47) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc2c1 |r| Show InChI InChI=1S/C19H18ClN3O/c20-15-4-7-17-14(11-15)3-8-19(23-17)22-16-5-1-13(2-6-16)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-12.7	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))	BDBM129405 (US8802673, 47) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)ccc2c1 |r| Show InChI InChI=1S/C19H18ClN3O/c20-15-4-7-17-14(11-15)3-8-19(23-17)22-16-5-1-13(2-6-16)18-12-21-9-10-24-18/h1-8,11,18,21H,9-10,12H2,(H,22,23)/t18-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.70	-11.6	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