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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 = 'BDBM50299894'   
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))
BDBM50299894
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...)
Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-13(6-4-12)31-21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)
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Similars

Article
PubMed
n/an/an/an/a 3.60n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair