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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50036835'   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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140n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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140n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding afinity against beta2-adrenergic receptor in bovine lung


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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n/an/a 977n/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-2-adrenergic receptor in isolated guinea pig tracheal strips


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair