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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 = 'BDBM50072389'   
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))		BDBM50072389
PNG
(CHEMBL107681 | Isoquinoline-3-sulfonic acid {4-[2-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)c1cccnc1
Show InChI InChI=1S/C24H24N4O3S/c29-24(20-5-3-12-25-15-20)17-26-13-11-18-7-9-21(10-8-18)28-32(30,31)22-14-19-4-1-2-6-23(19)27-16-22/h1-10,12,14-16,24,26,28-29H,11,13,17H2/t24-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol

Bioorg Med Chem Lett 8: 3087-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FF6
More data for this
Ligand-Target Pair