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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 = 'BDBM50071297'   
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))		BDBM50071297
PNG
(CHEMBL68334 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1cccnc1
Show InChI InChI=1S/C25H26N4O4S/c30-22(18-33-23-5-3-12-26-16-23)15-27-13-11-19-7-9-21(10-8-19)29-34(31,32)24-14-20-4-1-2-6-25(20)28-17-24/h1-10,12,14,16-17,22,27,29-30H,11,13,15,18H2/t22-/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