BDBM50225515 CHEMBL345618

SMILES: CC(CCCCNC(=O)OCc1ccccc1)NCC(O)c1ccc(O)c(O)c1

InChI Key: InChIKey=SMQPASACOUXUJE-UHFFFAOYSA-N

Data: 1 EC50

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 = 50225515   

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 (Mus musculus)	BDBM50225515 (CHEMBL345618) Show SMILES CC(CCCCNC(=O)OCc1ccccc1)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H30N2O5/c1-16(24-14-21(27)18-10-11-19(25)20(26)13-18)7-5-6-12-23-22(28)29-15-17-8-3-2-4-9-17/h2-4,8-11,13,16,21,24-27H,5-7,12,14-15H2,1H3,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effective concentration against 125I]iodocyanopindolol(ICYP) binding to beta adrenergic receptor was determined				J Med Chem 28: 634-42 (1985) BindingDB Entry DOI: 10.7270/Q2PN97VW
					More data for this Ligand-Target Pair