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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 = 'BDBM50071298'   
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))		BDBM50071298
PNG
(CHEMBL292947 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-19(2)21-7-11-25(12-8-21)33(30,31)28-22-9-5-20(6-10-22)13-15-27-16-23(29)18-32-24-4-3-14-26-17-24/h3-12,14,17,19,23,27-29H,13,15-16,18H2,1-2H3/t23-/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