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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '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-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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PC cid
PC sid
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23n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 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-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
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay


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