Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50518969'   

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))	BDBM50518969 (CHEMBL4514723) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	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))	BDBM50518969 (CHEMBL4514723) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	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