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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 Ligand = 'BDBM50324834'   
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))
BDBM50324834
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-phenoxyethylamino)...)
Show SMILES O[C@@H](CNCCOc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H18N2O4S/c20-13-7-6-12(16-15(13)19-17(22)24-16)14(21)10-18-8-9-23-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1
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Similars

Article
PubMed
18n/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)

More data for this
Ligand-Target Pair