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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 = 'BDBM50092031'   
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))		BDBM50092031
PNG
(4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C29H27FN6O3S/c30-24-7-5-22(6-8-24)28-19-33-36(34-28)26-11-13-27(14-12-26)40(38,39)35-25-9-3-21(4-10-25)15-17-32-20-29(37)23-2-1-16-31-18-23/h1-14,16,18-19,29,32,35,37H,15,17,20H2/t29-/m0/s1
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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



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