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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 = 50324852   
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))
BDBM50324852
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((S)-1-(naphthalen-2-...)
Show SMILES C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair