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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 = 'BDBM50092020'   
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))		BDBM50092020
PNG
(4-[4-(3-Fluoro-benzyl)-[1,2,3]triazol-2-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3cccc(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H29FN6O3S/c31-25-5-1-3-23(17-25)18-27-20-34-37(35-27)28-10-12-29(13-11-28)41(39,40)36-26-8-6-22(7-9-26)14-16-33-21-30(38)24-4-2-15-32-19-24/h1-13,15,17,19-20,30,33,36,38H,14,16,18,21H2/t30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol

Bioorg Med Chem Lett 10: 2111-4 (2000)


BindingDB Entry DOI: 10.7270/Q2X929JR
More data for this
Ligand-Target Pair