Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50301256'   

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))	BDBM50301256 (CHEMBL570834 | N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...) Show SMILES CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1 Show InChI InChI=1S/C31H44N6O6/c1-31(2,33-18-25(39)23-10-11-24(38)29-30(23)43-20-28(42)35-29)17-21-6-8-22(9-7-21)34-26(40)5-4-12-32-27(41)19-37-15-13-36(3)14-16-37/h6-11,25,33,38-39H,4-5,12-20H2,1-3H3,(H,32,41)(H,34,40)(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair