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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 = 'BDBM50018605'   
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))
BDBM50018605
PNG
(CHEMBL3290986)
Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C26H30N2O3/c29-17-22-14-21(7-11-25(22)30)26(31)16-27-13-12-18-4-8-23(9-5-18)28-24-10-6-19-2-1-3-20(19)15-24/h4-11,14-15,26-31H,1-3,12-13,16-17H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.51E+4n/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