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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 = 50313948   
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))
BDBM50313948
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
Show InChI InChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>2.00E+4n/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