Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 230.3 BDBM50405026

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 (GUINEA PIG)	BDBM50405026 (CHEMBL26224) Show SMILES CC(NOCC(O)CNC(C)(C)C)C1CC1 Show InChI InChI=1S/C12H26N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3)4/h9-11,13-15H,5-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor blocking activity in trachea of guinea pig.				J Med Chem 27: 1291-4 (1984) BindingDB Entry DOI: 10.7270/Q23779W0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405026 (CHEMBL26224) Show SMILES CC(NOCC(O)CNC(C)(C)C)C1CC1 Show InChI InChI=1S/C12H26N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3)4/h9-11,13-15H,5-8H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor blocking activity in atria of guinea pig.				J Med Chem 27: 1291-4 (1984) BindingDB Entry DOI: 10.7270/Q23779W0
					More data for this Ligand-Target Pair