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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 = 'BDBM50500476'   
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))		BDBM50500476
PNG
(CHEMBL3747710)
Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCC(CC2)S(=O)(=O)CC)N1)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C26H34N2O4S/c1-2-33(31,32)23-14-16-28(17-15-23)26(30)21-10-8-19(9-11-21)18-22-12-13-24(27-22)25(29)20-6-4-3-5-7-20/h3-11,22-25,27,29H,2,12-18H2,1H3/t22-,24+,25+/m0/s1
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Article
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human beta-1 adrenergic receptor expressed in CHO cell membrane after 1 hr by scintillation counting method

Bioorg Med Chem Lett 26: 55-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.030
BindingDB Entry DOI: 10.7270/Q29C71DN
More data for this
Ligand-Target Pair