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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 Monomerid = 50293418   
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))
BDBM50293418
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-20-3-1-2-19(14-20)15-25(31)28-21-6-4-18(5-7-21)12-13-27-16-23(30)17-32-24-10-8-22(29)9-11-24/h1-11,14,23,27,29-30H,12-13,15-17H2,(H,28,31)/t23-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 890n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as increase in cAMP production after 2 days by radioimmuno...


Eur J Med Chem 44: 2533-43 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.022
BindingDB Entry DOI: 10.7270/Q2JM2BJV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50293418
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-20-3-1-2-19(14-20)15-25(31)28-21-6-4-18(5-7-21)12-13-27-16-23(30)17-32-24-10-8-22(29)9-11-24/h1-11,14,23,27,29-30H,12-13,15-17H2,(H,28,31)/t23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as increase in cAMP production after 2 days by radioimmuno...


Eur J Med Chem 44: 2533-43 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.022
BindingDB Entry DOI: 10.7270/Q2JM2BJV
More data for this
Ligand-Target Pair