Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.3 BDBM50421725

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-2 adrenergic receptor (BOVINE)	BDBM50421725 (CHEMBL1159889) Show SMILES CCC(C)c1cccc(OCC(O)CNC(C)C)c1 Show InChI InChI=1S/C16H27NO2/c1-5-13(4)14-7-6-8-16(9-14)19-11-15(18)10-17-12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM50421725 (CHEMBL1159889) Show SMILES CCC(C)c1cccc(OCC(O)CNC(C)C)c1 Show InChI InChI=1S/C16H27NO2/c1-5-13(4)14-7-6-8-16(9-14)19-11-15(18)10-17-12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair