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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 = 'BDBM50070153'   
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))		BDBM50070153
PNG
(4-(2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(O)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C17H21NO4/c19-14-3-1-13(2-4-14)9-10-18-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,18-21H,9-12H2/t16-/m0/s1
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n/an/a 900n/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