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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 = 'BDBM50092029'   
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))		BDBM50092029
PNG
(4-[4-(4-Fluoro-benzyl)-[1,2,3]triazol-2-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H29FN6O3S/c31-25-7-3-23(4-8-25)18-27-20-34-37(35-27)28-11-13-29(14-12-28)41(39,40)36-26-9-5-22(6-10-26)15-17-33-21-30(38)24-2-1-16-32-19-24/h1-14,16,19-20,30,33,36,38H,15,17-18,21H2/t30-/m0/s1
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for cloned human Beta-1 adrenergic receptor expressed in CHO cells, tested 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