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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 = 'BDBM50328333'   
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))
BDBM50328333
PNG
(1-(3-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES COc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C27H30N4O3S/c1-33-22-8-5-9-23(14-22)34-16-21(32)15-28-20-10-12-31(13-11-20)26-25-24(19-6-3-2-4-7-19)17-35-27(25)30-18-29-26/h2-9,14,17-18,20-21,28,32H,10-13,15-16H2,1H3
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Article
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42n/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))
BDBM50328333
PNG
(1-(3-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES COc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C27H30N4O3S/c1-33-22-8-5-9-23(14-22)34-16-21(32)15-28-20-10-12-31(13-11-20)26-25-24(19-6-3-2-4-7-19)17-35-27(25)30-18-29-26/h2-9,14,17-18,20-21,28,32H,10-13,15-16H2,1H3
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antibodypedia
GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 21n/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