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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 = 50078803   
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))
BDBM50078803
PNG
(1-(6-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-10-21-13-9-14-25(26-21)28-18-17-20-19-23(15-16-24(20)28)31(29,30)27-22-11-7-5-8-12-22/h5,7-9,11-16,19,27H,2-4,6,10,17-18H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair