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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 = 'BDBM50098671'   
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))		BDBM50098671
PNG
(3-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H31N3O6S/c1-33(31,32)25-20-14-17(5-8-21(20)27)22(28)15-24-18-10-12-26(13-11-18)19-6-2-16(3-7-19)4-9-23(29)30/h2-3,5-8,14,18,22,24-25,27-28H,4,9-13,15H2,1H3,(H,29,30)/t22-/m0/s1
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PubMed
n/an/an/an/a 9.80E+3n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor

J Med Chem 44: 1456-66 (2001)


BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair