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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 Monomerid = 50313972   
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))
BDBM50313972
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCc3ccccc3)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H31N3O2/c34-29(27-10-5-18-31-21-27)22-32-19-17-24-13-15-28(16-14-24)33-30(35)26-9-4-8-25(20-26)12-11-23-6-2-1-3-7-23/h1-10,13-16,18,20-21,29,32,34H,11-12,17,19,22H2,(H,33,35)/t29-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair