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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 = 'BDBM50018602'   
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))
BDBM50018602
PNG
(CHEMBL3290983)
Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C27H28N2O3/c30-18-23-15-22(8-12-26(23)31)27(32)17-28-14-13-19-5-9-24(10-6-19)29-25-11-7-20-3-1-2-4-21(20)16-25/h1-12,15-16,27-32H,13-14,17-18H2
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PC cid
PC sid
UniChem
Article
PubMed
1.26E+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