BDBM129384 US8802673, 26

SMILES: Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)sc2c1

InChI Key: InChIKey=BAOBADUPYUALTB-OAHLLOKOSA-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 = 129384   

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))	BDBM129384 (US8802673, 26) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)sc2c1 |r| Show InChI InChI=1S/C17H16ClN3OS/c18-12-3-6-14-16(9-12)23-17(21-14)20-13-4-1-11(2-5-13)15-10-19-7-8-22-15/h1-6,9,15,19H,7-8,10H2,(H,20,21)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-12.3	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 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))	BDBM129384 (US8802673, 26) Show SMILES Clc1ccc2nc(Nc3ccc(cc3)[C@H]3CNCCO3)sc2c1 |r| Show InChI InChI=1S/C17H16ClN3OS/c18-12-3-6-14-16(9-12)23-17(21-14)20-13-4-1-11(2-5-13)15-10-19-7-8-22-15/h1-6,9,15,19H,7-8,10H2,(H,20,21)/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.30	-11.5	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