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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 = 'BDBM50071293'   
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))		BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/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