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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 = 50071278   
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))
BDBM50071278
PNG
(CHEMBL304878 | N-(4-{2-[(S)-3-(4-Fluoro-phenoxy)-2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1
Show InChI InChI=1S/C23H24FIN2O4S/c24-18-3-9-22(10-4-18)31-16-21(28)15-26-14-13-17-1-7-20(8-2-17)27-32(29,30)23-11-5-19(25)6-12-23/h1-12,21,26-28H,13-16H2/t21-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair