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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 = 'BDBM50027818'   
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))
BDBM50027818
PNG
(CHEMBL347400)
Show SMILES C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN3O5S2/c1-19(27-18-25(30)21-8-6-9-22(26)16-21)17-28-23-10-5-7-20(15-23)13-14-35(31,32)29-36(33,34)24-11-3-2-4-12-24/h2-12,15-16,19,25,27-30H,13-14,17-18H2,1H3/t19-,25+/m1/s1
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair