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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 = 'BDBM50078788'   
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))
BDBM50078788
PNG
(1-[3-(3-cyclopentylpropyl)phenyl]-N-phenyl-2,3-dih...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)c1
Show InChI InChI=1S/C28H32N2O2S/c31-33(32,29-25-13-2-1-3-14-25)27-16-17-28-24(21-27)18-19-30(28)26-15-7-12-23(20-26)11-6-10-22-8-4-5-9-22/h1-3,7,12-17,20-22,29H,4-6,8-11,18-19H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/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