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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 = 'BDBM50328308'   
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))
BDBM50328308
PNG
(1-(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimid...)
Show SMILES NC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C27H30N6O3S/c28-27(35)32-20-7-4-8-22(13-20)36-15-21(34)14-29-19-9-11-33(12-10-19)25-24-23(18-5-2-1-3-6-18)16-37-26(24)31-17-30-25/h1-8,13,16-17,19,21,29,34H,9-12,14-15H2,(H3,28,32,35)
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Article
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37n/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))
BDBM50328308
PNG
(1-(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimid...)
Show SMILES NC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C27H30N6O3S/c28-27(35)32-20-7-4-8-22(13-20)36-15-21(34)14-29-19-9-11-33(12-10-19)25-24-23(18-5-2-1-3-6-18)16-37-26(24)31-17-30-25/h1-8,13,16-17,19,21,29,34H,9-12,14-15H2,(H3,28,32,35)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/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