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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 = 'BDBM50324837'   
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))
BDBM50324837
PNG
((R)-7-(2-(2-(4-chlorophenylthio)ethylamino)-1-hydr...)
Show SMILES O[C@@H](CNCCSc1ccc(Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H17ClN2O3S2/c18-10-1-3-11(4-2-10)24-8-7-19-9-14(22)12-5-6-13(21)15-16(12)25-17(23)20-15/h1-6,14,19,21-22H,7-9H2,(H,20,23)/t14-/m0/s1
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Similars

Article
PubMed
1.70n/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