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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 = 'BDBM50071279'   
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))		BDBM50071279
PNG
(3,4-Dichloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H23Cl2N3O4S/c23-21-8-7-20(12-22(21)24)32(29,30)27-17-5-3-16(4-6-17)9-11-26-13-18(28)15-31-19-2-1-10-25-14-19/h1-8,10,12,14,18,26-28H,9,11,13,15H2/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair