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Compile Data Set for Download or QSAR

Found 3 hits of ki for drug = Albuterol Sulfate And Ipratropium Bromide   
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))
BDBM50361247
PNG
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Show SMILES CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
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KEGG
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Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM boric acid


Bioorg Med Chem 20: 933-41 (2012)


Article DOI: 10.1016/j.bmc.2011.11.054
BindingDB Entry DOI: 10.7270/Q2V988J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50361247
PNG
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Show SMILES CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
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MCE
KEGG
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PDB
Article
PubMed
4.68E+3n/an/an/an/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM phenylboronic acid


Bioorg Med Chem 20: 933-41 (2012)


Article DOI: 10.1016/j.bmc.2011.11.054
BindingDB Entry DOI: 10.7270/Q2V988J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50361247
PNG
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Show SMILES CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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PDB
Article
PubMed
5.62E+3n/an/an/an/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells


Bioorg Med Chem 20: 933-41 (2012)


Article DOI: 10.1016/j.bmc.2011.11.054
BindingDB Entry DOI: 10.7270/Q2V988J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)