Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50413483'   

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))	BDBM50413483 (CHEMBL514032) Show SMILES CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H44N2O6S/c1-22(2)30-37(34,35)26-12-9-11-23(18-26)10-5-8-17-36-16-7-4-3-6-15-29-20-28(33)24-13-14-27(32)25(19-24)21-31/h9,11-14,18-19,22,28-33H,3-8,10,15-17,20-21H2,1-2H3/t28-/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	n/a	n/a	0.501	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
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