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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 = 'BDBM50071300'   
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))		BDBM50071300
PNG
(4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



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