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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-1/Beta-2/Beta-3 adrenergic receptor' and Ligand = 'BDBM50019060'   
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/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 63n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at beta-adrenergic receptor in Sprague-Dawley rat cerebral cortex assessed as [3H]cAMP accumulation by liquid scintillation spectros...


J Med Chem 22: 1493-7 (1979)


Article DOI: 10.1021/jm00198a012
BindingDB Entry DOI: 10.7270/Q2RV0RQK
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from beta-adrenergic receptor in Sprague-Dawley rat cerebral cortical membrane


J Med Chem 22: 1493-7 (1979)


Article DOI: 10.1021/jm00198a012
BindingDB Entry DOI: 10.7270/Q2RV0RQK
More data for this
Ligand-Target Pair