Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50089473'   

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))	BDBM50089473 (CHEMBL415039 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1 Show InChI InChI=1S/C31H28F3N5O4S/c32-31(33,34)25-9-3-22(4-10-25)18-29-37-30(38-43-29)23-7-13-27(14-8-23)44(41,42)39-26-11-5-21(6-12-26)15-17-36-20-28(40)24-2-1-16-35-19-24/h1-14,16,19,28,36,39-40H,15,17-18,20H2/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 1431-4 (2000) BindingDB Entry DOI: 10.7270/Q24B30JM
					More data for this Ligand-Target Pair