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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50078787'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078787
PNG
(1-(6-octylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C27H33N3O2S/c1-2-3-4-5-6-8-12-23-15-11-16-27(28-23)30-20-19-22-21-25(17-18-26(22)30)33(31,32)29-24-13-9-7-10-14-24/h7,9-11,13-18,21,29H,2-6,8,12,19-20H2,1H3
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n/an/a 63n/an/an/an/an/an/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