Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50299901'   

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))	BDBM50299901 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-...) Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)	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	0.800	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
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