Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50096771'   

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))	BDBM50096771 (CHEMBL126055 | Cyanoguanidine derivative) Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc(I)cc2)=NC#N)cc1)c1cccnc1 |w:20.21| Show InChI InChI=1S/C23H23IN6O/c24-19-5-9-21(10-6-19)30-23(28-16-25)29-20-7-3-17(4-8-20)11-13-27-15-22(31)18-2-1-12-26-14-18/h1-10,12,14,22,27,31H,11,13,15H2,(H2,28,29,30)/t22-/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	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
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