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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50096778'   
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-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50096778
PNG
(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-...)
Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(=S)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)ccc12
Show InChI InChI=1S/C35H44N6OS2/c1-2-3-4-5-6-7-10-31-25-44-35(40-31)41-21-18-27-22-30(15-16-32(27)41)39-34(43)38-29-13-11-26(12-14-29)17-20-37-24-33(42)28-9-8-19-36-23-28/h8-9,11-16,19,22-23,25,33,37,42H,2-7,10,17-18,20-21,24H2,1H3,(H2,38,39,43)/t33-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human beta-2 adrenergic receptor assayed 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