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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'front' and Initial = 's'   
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-galactosidase


(Homo sapiens (Human))
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469239
PNG
(CHEMBL4284436)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C14H21NO3/c16-9-11-12(15-8-13(17)14(11)18)7-6-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/t11-,12+,13+,14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50235813
PNG
(CHEMBL4097052)
Show SMILES CC(=O)N[C@H]1[C@@H](COCCCCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H30N2O5/c1-13(23)20-17-16(21-15(11-22)18(24)19(17)25)12-26-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-19,21-22,24-25H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-,17+,18-,19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469237
PNG
(CHEMBL4281031)
Show SMILES C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C7H15NO3/c1-4-5(3-9)7(11)6(10)2-8-4/h4-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50469237
PNG
(CHEMBL4281031)
Show SMILES C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C7H15NO3/c1-4-5(3-9)7(11)6(10)2-8-4/h4-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50469239
PNG
(CHEMBL4284436)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C14H21NO3/c16-9-11-12(15-8-13(17)14(11)18)7-6-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/t11-,12+,13+,14-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235815
PNG
(CHEMBL4099495)
Show SMILES CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl alpha-D-glucopyranoside as sub...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50469237
PNG
(CHEMBL4281031)
Show SMILES C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C7H15NO3/c1-4-5(3-9)7(11)6(10)2-8-4/h4-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl alpha-D-glucopyranoside as sub...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl alpha-D-glucopyranoside as sub...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235814
PNG
(CHEMBL4081472)
Show SMILES CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10-,11+/m1/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a>1.60E+5n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair