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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 = 'BDBM50089477'   
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))		BDBM50089477
PNG
(4-[5-(4-Fluoro-phenoxymethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O5S/c31-24-7-11-26(12-8-24)40-20-29-34-30(35-41-29)22-5-13-27(14-6-22)42(38,39)36-25-9-3-21(4-10-25)15-17-33-19-28(37)23-2-1-16-32-18-23/h1-14,16,18,28,33,36-37H,15,17,19-20H2/t28-/m0/s1
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n/an/a 715n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in 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