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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50018561'   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50018561
PNG
(CHEMBL3290995)
Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H25FN2O3/c24-19-4-8-21(9-5-19)26-20-6-1-16(2-7-20)11-12-25-14-23(29)17-3-10-22(28)18(13-17)15-27/h1-10,13,23,25-29H,11-12,14-15H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assay


Bioorg Med Chem Lett 24: 2625-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair