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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 = 50313966   
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))
BDBM50313966
PNG
((R)-2-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCn2cccc2)cc1)c1cccnc1
Show InChI InChI=1S/C28H30N4O2/c33-27(24-7-5-15-29-20-24)21-30-16-13-22-9-11-25(12-10-22)31-28(34)26-8-2-1-6-23(26)14-19-32-17-3-4-18-32/h1-12,15,17-18,20,27,30,33H,13-14,16,19,21H2,(H,31,34)/t27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.20E+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