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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 = 'BDBM50078808'   
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))		BDBM50078808
PNG
(CHEMBL292407 | N-methyl-N-octyl-5-(phenylsulfamoyl...)
Show SMILES CCCCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-3-4-5-6-7-11-17-26(2)24(28)27-18-16-20-19-22(14-15-23(20)27)31(29,30)25-21-12-9-8-10-13-21/h8-10,12-15,19,25H,3-7,11,16-18H2,1-2H3
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n/an/a 970n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair