BDBM129529 US8802673, 171

SMILES: Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1

InChI Key: InChIKey=XGXHBSFCSPVVQY-MRXNPFEDSA-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 = 129529   

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))	BDBM129529 (US8802673, 171) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C17H19ClN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-12.9	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))	BDBM129529 (US8802673, 171) Show SMILES Clc1cc(ccc1Nc1ncc(cn1)C1CC1)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C17H19ClN4O/c18-14-7-12(16-10-19-5-6-23-16)3-4-15(14)22-17-20-8-13(9-21-17)11-1-2-11/h3-4,7-9,11,16,19H,1-2,5-6,10H2,(H,20,21,22)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-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 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