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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 = 'BDBM50324838'   
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))
BDBM50324838
PNG
((R)-7-(2-(2-(dibutylamino)ethylamino)-1-hydroxyeth...)
Show SMILES CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H31N3O3S/c1-3-5-10-22(11-6-4-2)12-9-20-13-16(24)14-7-8-15(23)17-18(14)26-19(25)21-17/h7-8,16,20,23-24H,3-6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
31n/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