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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-1 Adrenergic Receptor' and Monomerid = 50236152   
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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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PubMed
n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation


J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair