Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50018600'   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50018600 (CHEMBL3290981) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C30H37N3O4/c34-21-25-19-24(8-11-28(25)35)29(36)20-31-15-12-22-6-9-27(10-7-22)33-16-13-26(14-17-33)32-30(37)18-23-4-2-1-3-5-23/h1-11,19,26,29,31,34-36H,12-18,20-21H2,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair