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Patent code US9802945

Compile Data Set for Download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352410
PNG
(5′-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)...)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1CO)C(=O)NC
Show InChI InChI=1S/C22H20FN5O2/c1-3-28-12-25-20-18(10-26-27-21(20)28)13-5-7-19(23)17(9-13)16-6-4-14(22(30)24-2)8-15(16)11-29/h4-10,12,29H,3,11H2,1-2H3,(H,24,30)
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US Patent
6.30n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352391
PNG
(5-{2-Fluoro-5-[7-(propan-2-yl)-7H-imidazo[4,5-c]py...)
Show SMILES CC(C)n1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C23H20FN5O/c1-13(2)29-12-25-21-19(10-26-27-22(21)29)15-5-7-20(24)18(9-15)14-4-6-17-16(8-14)11-28(3)23(17)30/h4-10,12-13H,11H2,1-3H3
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US Patent
6.40n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352390
PNG
(5-[5-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-2-f...)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1CO
Show InChI InChI=1S/C23H20FN5O2/c1-3-29-12-25-21-19(9-26-27-22(21)29)13-4-5-20(24)18(6-13)16-7-14-10-28(2)23(31)17(14)8-15(16)11-30/h4-9,12,30H,3,10-11H2,1-2H3
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6.60n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352405
PNG
(US9802945, 16)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)C(=O)NC
Show InChI InChI=1S/C21H18FN5O/c1-3-27-12-24-19-17(11-25-26-20(19)27)15-8-9-18(22)16(10-15)13-4-6-14(7-5-13)21(28)23-2/h4-12H,3H2,1-2H3,(H,23,28)
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6.70n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352398
PNG
(US9802945, 9)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc(ccc1F)C(=O)NC
Show InChI InChI=1S/C21H17F2N5O/c1-3-28-11-25-19-16(10-26-27-20(19)28)12-4-6-17(22)14(8-12)15-9-13(21(29)24-2)5-7-18(15)23/h4-11H,3H2,1-2H3,(H,24,29)
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6.80n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352403
PNG
(US9802945, 14)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H16FN5O/c1-2-26-11-23-18-16(10-24-25-20(18)26)14-7-8-17(21)15(9-14)12-3-5-13(6-4-12)19(22)27/h3-11H,2H2,1H3,(H2,22,27)
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7.5n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352401
PNG
(2′-Fluoro-5′-[7-(propan-2-yl)-7H-imida...)
Show SMILES CC(C)n1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18FN5O/c1-12(2)27-11-24-19-17(10-25-26-21(19)27)15-7-8-18(22)16(9-15)13-3-5-14(6-4-13)20(23)28/h3-12H,1-2H3,(H2,23,28)
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10.7n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352392
PNG
(US9802945, 3)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc2C(=O)N(C)Cc2c1
Show InChI InChI=1S/C22H18FN5O/c1-3-28-12-24-20-18(10-25-26-21(20)28)14-5-7-19(23)17(9-14)13-4-6-16-15(8-13)11-27(2)22(16)29/h4-10,12H,3,11H2,1-2H3
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12.8n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352407
PNG
(US9802945, 18)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)C(=O)NC(C)C
Show InChI InChI=1S/C23H22FN5O/c1-4-29-13-25-21-19(12-26-28-22(21)29)17-9-10-20(24)18(11-17)15-5-7-16(8-6-15)23(30)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,30)
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19.3n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352404
PNG
(US9802945, 15)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H16FN5O/c1-2-26-11-23-18-16(10-24-25-20(18)26)13-6-7-17(21)15(9-13)12-4-3-5-14(8-12)19(22)27/h3-11H,2H2,1H3,(H2,22,27)
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US Patent
20.3n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352400
PNG
(5′-(7-Cyclopropyl-7H-imidazo[4,5-c]pyridazin...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1
Show InChI InChI=1S/C22H18FN5O/c1-24-22(29)14-4-2-13(3-5-14)17-10-15(6-9-19(17)23)18-11-26-27-21-20(18)25-12-28(21)16-7-8-16/h2-6,9-12,16H,7-8H2,1H3,(H,24,29)
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20.5n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352394
PNG
(US9802945, 5)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc2CN(C)C(=O)c2c1
Show InChI InChI=1S/C22H18FN5O/c1-3-28-12-24-20-18(10-25-26-21(20)28)14-6-7-19(23)16(8-14)13-4-5-15-11-27(2)22(29)17(15)9-13/h4-10,12H,3,11H2,1-2H3
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21.7n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352393
PNG
(US9802945, 4)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cccc(c1)C(=O)NC
Show InChI InChI=1S/C21H18FN5O/c1-3-27-12-24-19-17(11-25-26-20(19)27)14-7-8-18(22)16(10-14)13-5-4-6-15(9-13)21(28)23-2/h4-12H,3H2,1-2H3,(H,23,28)
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23.2n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352397
PNG
(US9802945, 8)
Show SMILES CNC(=O)c1ccc(F)c(c1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1
Show InChI InChI=1S/C22H17F2N5O/c1-25-22(30)13-3-7-19(24)16(9-13)15-8-12(2-6-18(15)23)17-10-27-28-21-20(17)26-11-29(21)14-4-5-14/h2-3,6-11,14H,4-5H2,1H3,(H,25,30)
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29n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352396
PNG
(US9802945, 7)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc(ccc1F)C(=O)N(C)C
Show InChI InChI=1S/C22H19F2N5O/c1-4-29-12-25-20-17(11-26-27-21(20)29)13-5-7-18(23)15(9-13)16-10-14(6-8-19(16)24)22(30)28(2)3/h5-12H,4H2,1-3H3
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30.9n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352408
PNG
(US9802945, 19)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc(F)cc(c1)C(=O)NC
Show InChI InChI=1S/C21H17F2N5O/c1-3-28-11-25-19-17(10-26-27-20(19)28)12-4-5-18(23)16(9-12)13-6-14(21(29)24-2)8-15(22)7-13/h4-11H,3H2,1-2H3,(H,24,29)
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51n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352406
PNG
(US9802945, 17)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(C(=O)N(C)C)c(F)c1
Show InChI InChI=1S/C22H19F2N5O/c1-4-29-12-25-20-17(11-26-27-21(20)29)13-6-8-18(23)16(9-13)14-5-7-15(19(24)10-14)22(30)28(2)3/h5-12H,4H2,1-3H3
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52.8n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352399
PNG
(5-[5-(7-Cyclopropyl-7H-imidazo[4,5-c]pyridazin-4-y...)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1
Show InChI InChI=1S/C23H18FN5O/c1-28-11-15-8-13(2-6-17(15)23(28)30)18-9-14(3-7-20(18)24)19-10-26-27-22-21(19)25-12-29(22)16-4-5-16/h2-3,6-10,12,16H,4-5,11H2,1H3
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54.7n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352402
PNG
(5′-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)...)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H20FN5O/c1-4-28-13-24-20-18(12-25-26-21(20)28)16-9-10-19(23)17(11-16)14-5-7-15(8-6-14)22(29)27(2)3/h5-13H,4H2,1-3H3
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71.6n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352411
PNG
(5′-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)...)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1CO)C(=O)N(C)C
Show InChI InChI=1S/C23H22FN5O2/c1-4-29-13-25-21-19(11-26-27-22(21)29)14-6-8-20(24)18(10-14)17-7-5-15(9-16(17)12-30)23(31)28(2)3/h5-11,13,30H,4,12H2,1-3H3
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81.2n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352395
PNG
(US9802945, 6)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc2CNC(=O)c2c1
Show InChI InChI=1S/C21H16FN5O/c1-2-27-11-24-19-17(10-25-26-20(19)27)13-5-6-18(22)15(7-13)12-3-4-14-9-23-21(28)16(14)8-12/h3-8,10-11H,2,9H2,1H3,(H,23,28)
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81.8n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352409
PNG
(US9802945, 20)
Show SMILES CCn1cnc2c(cnnc12)-c1cccc(c1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-4-27-14-23-20-19(13-24-25-21(20)27)18-7-5-6-17(12-18)15-8-10-16(11-9-15)22(28)26(2)3/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
224n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM352412
PNG
(5′-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)...)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc(ccc1OC)C(=O)N(C)C
Show InChI InChI=1S/C23H22FN5O2/c1-5-29-13-25-21-18(12-26-27-22(21)29)14-6-8-19(24)16(10-14)17-11-15(23(30)28(2)3)7-9-20(17)31-4/h6-13H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
340n/an/an/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...


US Patent US9802945 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26JT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%