Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50273046'   

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))	BDBM50273046 (3-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...) Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H24ClNO4/c26-20-8-4-17(5-9-20)24(28)15-27-21-10-6-16-7-11-23(14-19(16)12-21)31-22-3-1-2-18(13-22)25(29)30/h1-5,7-9,11,13-14,21,24,27-28H,6,10,12,15H2,(H,29,30)/t21-,24-/m0/s1	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	330	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				J Med Chem 51: 4804-22 (2008) Article DOI: 10.1021/jm800222k BindingDB Entry DOI: 10.7270/Q25D8SQ8
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