Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50205505'   

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))	BDBM50205505 ((+/-)-N-[5-(2-bromo-1-hydroxyethyl)isoxazol-3-yl]m...) Show SMILES CC(C)(C)NCC(O)c1cc(NS(C)(=O)=O)no1 |w:6.6| Show InChI InChI=1S/C10H19N3O4S/c1-10(2,3)11-6-7(14)8-5-9(12-17-8)13-18(4,15)16/h5,7,11,14H,6H2,1-4H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human adrenergic beta 1 receptor transfected in CHO cells in presence of 100 uM GTP				Bioorg Med Chem 15: 2533-43 (2007) Article DOI: 10.1016/j.bmc.2007.01.056 BindingDB Entry DOI: 10.7270/Q2765F04
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