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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 = 'BDBM50070126'   
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))		BDBM50070126
PNG
(3-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-18-2-1-3-23(14-18)32(29,30)26-19-6-4-17(5-7-19)12-13-25-15-21(28)16-31-22-10-8-20(27)9-11-22/h1-11,14,21,25-28H,12-13,15-16H2/t21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.

Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair