Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50218177'   

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))	BDBM50218177 ((R)-2-(2-(4-(2-(benzyloxymethyl)oxazol-4-yl)phenox...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1coc(COCc2ccccc2)n1)c1cccnc1 Show InChI InChI=1S/C26H27N3O4/c30-25(22-7-4-12-27-15-22)16-28-13-14-32-23-10-8-21(9-11-23)24-18-33-26(29-24)19-31-17-20-5-2-1-3-6-20/h1-12,15,18,25,28,30H,13-14,16-17,19H2/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5245-50 (2007) Article DOI: 10.1016/j.bmcl.2007.06.072 BindingDB Entry DOI: 10.7270/Q2MK6CMZ
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