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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 = 'BDBM50324832'   
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))
BDBM50324832
PNG
((R)-7-(2-(bi(cyclohexan)-2-ylamino)-1-hydroxyethyl...)
Show SMILES O[C@@H](CNC1CCCCC1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C21H30N2O3S/c24-17-11-10-15(20-19(17)23-21(26)27-20)18(25)12-22-16-9-5-4-8-14(16)13-6-2-1-3-7-13/h10-11,13-14,16,18,22,24-25H,1-9,12H2,(H,23,26)/t14?,16?,18-/m0/s1
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Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair