BDBM50405517 CHEMBL543717

SMILES: CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1

InChI Key: InChIKey=GQBZOBXTYCGAGK-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 = 50405517   

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))	BDBM50405517 (CHEMBL543717) Show SMILES CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1 Show InChI InChI=1S/C20H30N2O3/c1-16(9-11-21)22-13-19(23)15-25-20-7-5-17(6-8-20)10-12-24-14-18-3-2-4-18/h5-8,16,18-19,22-23H,2-4,9-10,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	339	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