Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50259468'   

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))	BDBM50259468 ((S)-N-Methyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...) Show SMILES CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H34N4O3/c1-33(30(36)20-29-32-18-19-34(29)22-25-8-4-2-5-9-25)26-14-12-24(13-15-26)16-17-31-21-27(35)23-37-28-10-6-3-7-11-28/h2-15,18-19,27,31,35H,16-17,20-23H2,1H3/t27-/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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