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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 = 'BDBM50089458'   
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))		BDBM50089458
PNG
(4-[5-(3-Cyclopentyl-propyl)-[1,2,4]oxadiazol-3-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H37N5O4S/c37-29(26-8-4-19-32-21-26)22-33-20-18-24-10-14-27(15-11-24)36-41(38,39)28-16-12-25(13-17-28)31-34-30(40-35-31)9-3-7-23-5-1-2-6-23/h4,8,10-17,19,21,23,29,33,36-37H,1-3,5-7,9,18,20,22H2/t29-/m0/s1
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PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair