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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 = 'BDBM50092023'   
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))		BDBM50092023
PNG
(4-[4-(3-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2cccc(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C29H27FN6O3S/c30-24-5-1-3-22(17-24)28-19-33-36(34-28)26-10-12-27(13-11-26)40(38,39)35-25-8-6-21(7-9-25)14-16-32-20-29(37)23-4-2-15-31-18-23/h1-13,15,17-19,29,32,35,37H,14,16,20H2/t29-/m0/s1
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PubMed
n/an/a 8.70E+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