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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor and beta-3 adrenergic receptor' and Ligand = 'BDBM50328296'   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328296
PNG
(1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2
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19n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328296
PNG
(1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2
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n/an/a 123n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair