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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 = 'BDBM50070141'   
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))		BDBM50070141
PNG
(2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/m0/s1
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n/an/a 110n/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