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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 = 'BDBM50328298'   
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))
BDBM50328298
PNG
(2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3
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9n/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))
BDBM50328298
PNG
(2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.140n/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