Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50518982'   

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))	BDBM50518982 (CHEMBL4462252) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518982 (CHEMBL4462252) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K
					More data for this Ligand-Target Pair