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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 Monomerid = 50098670   
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))
BDBM50098670
PNG
((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(COCC(O)=O)cc1
Show InChI InChI=1S/C23H31N3O7S/c1-34(31,32)25-20-12-17(4-7-21(20)27)22(28)13-24-18-8-10-26(11-9-18)19-5-2-16(3-6-19)14-33-15-23(29)30/h2-7,12,18,22,24-25,27-28H,8-11,13-15H2,1H3,(H,29,30)/t22-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.60E+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)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair