BDBM50405525 CHEMBL552898

SMILES: CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1

InChI Key: InChIKey=PZJBTYRPYPZRDJ-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 = 50405525   

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))	BDBM50405525 (CHEMBL552898) Show SMILES CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1 Show InChI InChI=1S/C18H29NO3/c1-14(2)19-10-17(20)13-22-18-8-6-16(7-9-18)12-21-11-15-4-3-5-15/h6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	36.3	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