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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 = 'BDBM50089494'   
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))		BDBM50089494
PNG
(4-[3-(3,4-Difluoro-phenoxymethyl)-[1,2,4]oxadiazol...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O5S/c31-26-12-9-24(16-27(26)32)41-19-29-35-30(42-36-29)21-5-10-25(11-6-21)43(39,40)37-23-7-3-20(4-8-23)13-15-34-18-28(38)22-2-1-14-33-17-22/h1-12,14,16-17,28,34,37-38H,13,15,18-19H2/t28-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair