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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 = 'BDBM50096781'   
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))		BDBM50096781
PNG
(CHEMBL125168 | Cyanoguanidine derivative)
Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(I)c2)=NC#N)cc1)c1cccnc1 |w:20.21|
Show InChI InChI=1S/C23H23IN6O/c24-19-4-1-5-21(13-19)30-23(28-16-25)29-20-8-6-17(7-9-20)10-12-27-15-22(31)18-3-2-11-26-14-18/h1-9,11,13-14,22,27,31H,10,12,15H2,(H2,28,29,30)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells

Bioorg Med Chem Lett 11: 379-82 (2001)


BindingDB Entry DOI: 10.7270/Q2CR5SNJ
More data for this
Ligand-Target Pair