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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 = 'BDBM50071292'   
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))		BDBM50071292
PNG
(CHEMBL67886 | N-(4-{2-[(S)-2-Hydroxy-3-(4-methoxy-...)
Show SMILES COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
Show InChI InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair