Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50078783'   

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))	BDBM50078783 (1-(3-octylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...) Show SMILES CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-8-12-23-13-11-16-26(21-23)30-20-19-24-22-27(17-18-28(24)30)33(31,32)29-25-14-9-7-10-15-25/h7,9-11,13-18,21-22,29H,2-6,8,12,19-20H2,1H3	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
					More data for this Ligand-Target Pair