Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50287800'   

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))	BDBM50287800 (5-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...) Show SMILES C[C@H](Cc1ncc(CCCCC(O)=O)s1)NC[C@H](O)COc1ccccc1 Show InChI InChI=1S/C20H28N2O4S/c1-15(21-12-16(23)14-26-17-7-3-2-4-8-17)11-19-22-13-18(27-19)9-5-6-10-20(24)25/h2-4,7-8,13,15-16,21,23H,5-6,9-12,14H2,1H3,(H,24,25)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...				Bioorg Med Chem Lett 6: 2253-2258 (1996) Article DOI: 10.1016/0960-894X(96)00417-9 BindingDB Entry DOI: 10.7270/Q2RJ4JGC
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