BDBM50405532 CHEMBL544190

SMILES: OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1

InChI Key: InChIKey=HNKVJJFUJUUQKR-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50405532   

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
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50405532 (CHEMBL544190) Show SMILES OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1 Show InChI InChI=1S/C19H29NO3/c21-18(12-20-17-6-7-17)14-23-19-8-4-15(5-9-19)10-11-22-13-16-2-1-3-16/h4-5,8-9,16-18,20-21H,1-3,6-7,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria				J Med Chem 30: 1003-11 (1987) BindingDB Entry DOI: 10.7270/Q2251KC9
					More data for this Ligand-Target Pair