Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50313922'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50313922 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1 |r| Show InChI InChI=1S/C25H25N5O3/c31-23(20-5-3-12-26-14-20)16-27-13-11-18-7-9-21(10-8-18)29-24(32)17-30-22-6-2-1-4-19(22)15-28-25(30)33/h1-10,12,14-15,23,27,31H,11,13,16-17H2,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
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