Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50352112'   

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))	BDBM50352112 (CHEMBL1824266) Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 5506-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN
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