Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50259255'   

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))	BDBM50259255 ((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)COc1ccccc1 |r| Show InChI InChI=1S/C29H32N4O3/c34-26(22-36-27-9-5-2-6-10-27)20-30-16-15-23-11-13-25(14-12-23)32-29(35)19-28-31-17-18-33(28)21-24-7-3-1-4-8-24/h1-14,17-18,26,30,34H,15-16,19-22H2,(H,32,35)/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	>1.00E+5	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 17: 3283-94 (2009) Article DOI: 10.1016/j.bmc.2009.03.044 BindingDB Entry DOI: 10.7270/Q2PG1RM6
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