Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50419016'   

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))	BDBM50419016 (CHEMBL1814275) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(CN2C(=O)NC(=O)C2=O)c1 |r| Show InChI InChI=1S/C29H39N3O7/c33-20-24-17-23(11-12-25(24)34)26(35)18-30-13-4-1-2-5-14-39-15-6-3-8-21-9-7-10-22(16-21)19-32-28(37)27(36)31-29(32)38/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H,31,36,38)/t26-/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	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 4192-201 (2011) Article DOI: 10.1016/j.bmc.2011.05.064 BindingDB Entry DOI: 10.7270/Q2BK1DM0
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