Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50277527'   

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))	BDBM50277527 ((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...) Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/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	39	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
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