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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 = 50313920   
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))
BDBM50313920
PNG
(CHEMBL1085444 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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