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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 beta-3 adrenergic receptor' and Ligand = 'BDBM50223431'   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223431
PNG
(5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymet...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H](C)c1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-18(30-16-28(35)22-9-11-27(34)24(14-22)17-33)12-20-8-10-25-23(13-20)15-26(32-25)29(36)31-19(2)21-6-4-3-5-7-21/h3-11,13-15,18-19,28,30,32-35H,12,16-17H2,1-2H3,(H,31,36)/t18-,19-,28+/m1/s1
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Article
PubMed
n/an/an/an/a 0.0580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair