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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 = 50293425   
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))
BDBM50293425
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C27H29N3O4/c31-22-9-11-24(12-10-22)34-18-23(32)17-28-14-13-19-5-7-21(8-6-19)30-27(33)15-20-16-29-26-4-2-1-3-25(20)26/h1-12,16,23,28-29,31-32H,13-15,17-18H2,(H,30,33)/t23-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 490n/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))
BDBM50293425
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C27H29N3O4/c31-22-9-11-24(12-10-22)34-18-23(32)17-28-14-13-19-5-7-21(8-6-19)30-27(33)15-20-16-29-26-4-2-1-3-25(20)26/h1-12,16,23,28-29,31-32H,13-15,17-18H2,(H,30,33)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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