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Patent code US10669227

Compile Data Set for Download or QSAR
Found 24 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM191770
PNG
(US10669227, Compound 7 | US9187406, Compound 7)
Show SMILES Oc1ccc(\C=C\C(=O)C(C(=O)Nc2ccccc2)C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H21NO5/c28-21-12-6-18(7-13-21)10-16-23(30)25(26(32)27-20-4-2-1-3-5-20)24(31)17-11-19-8-14-22(29)15-9-19/h1-17,25,28-29H,(H,27,32)/b16-10+,17-11+
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n/an/a<1.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM445062
PNG
(US10669227, Compound 6)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)Nc2ccccc2)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C28H25NO7/c1-36-26-16-19(8-12-23(26)32)10-14-25(34)27(28(35)29-21-5-3-2-4-6-21)24(33)13-9-18-7-11-22(31)20(15-18)17-30/h2-16,27,30-32H,17H2,1H3,(H,29,35)/b13-9+,14-10+
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n/an/a<1.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 4.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM445061
PNG
(US10669227, Compound 3)
Show SMILES OCC(=O)C(C(=O)\C=C\c1ccc(O)cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H18O6/c22-13-20(27)21(18(25)11-5-14-1-7-16(23)8-2-14)19(26)12-6-15-3-9-17(24)10-4-15/h1-12,21-24H,13H2/b11-5+,12-6+
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n/an/a 6.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM445061
PNG
(US10669227, Compound 3)
Show SMILES OCC(=O)C(C(=O)\C=C\c1ccc(O)cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H18O6/c22-13-20(27)21(18(25)11-5-14-1-7-16(23)8-2-14)19(26)12-6-15-3-9-17(24)10-4-15/h1-12,21-24H,13H2/b11-5+,12-6+
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n/an/a 8.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 9.00E+3n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM191763
PNG
(US10669227, Compound Curcumin | US9187397, 1 | US9...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-27-21-11-15(5-9-20(21)26)3-7-18(24)12-17(23)6-2-14-4-8-19(25)16(10-14)13-22/h2-11,22,25-26H,12-13H2,1H3/b6-2+,7-3+
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n/an/a 1.40E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM445058
PNG
(US10669227, Compound 1)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)CO)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-31-22-11-15(3-7-18(22)27)5-9-20(29)23(21(30)13-25)19(28)8-4-14-2-6-17(26)16(10-14)12-24/h2-11,23-27H,12-13H2,1H3/b8-4+,9-5+
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n/an/a 1.50E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM445058
PNG
(US10669227, Compound 1)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)CO)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-31-22-11-15(3-7-18(22)27)5-9-20(29)23(21(30)13-25)19(28)8-4-14-2-6-17(26)16(10-14)12-24/h2-11,23-27H,12-13H2,1H3/b8-4+,9-5+
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n/an/a 1.60E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM445060
PNG
(US10669227, Compound 4)
Show SMILES CNCc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1
Show InChI InChI=1S/C22H23NO4/c1-23-15-18-5-3-16(4-6-18)7-10-19(24)14-20(25)11-8-17-9-12-21(26)22(13-17)27-2/h3-13,23,26H,14-15H2,1-2H3/b10-7+,11-8+
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n/an/a 1.70E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 2.25E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM445059
PNG
(US10669227, Compound 5)
Show SMILES C[NH2+]Cc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2)[NH+](C)C)cc1
Show InChI InChI=1S/C23H26N2O2/c1-24-17-20-6-4-18(5-7-20)10-14-22(26)16-23(27)15-11-19-8-12-21(13-9-19)25(2)3/h4-15,24H,16-17H2,1-3H3/p+2/b14-10+,15-11+
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n/an/a 2.80E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM191763
PNG
(US10669227, Compound Curcumin | US9187397, 1 | US9...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-27-21-11-15(5-9-20(21)26)3-7-18(24)12-17(23)6-2-14-4-8-19(25)16(10-14)13-22/h2-11,22,25-26H,12-13H2,1H3/b6-2+,7-3+
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n/an/a 2.90E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM445058
PNG
(US10669227, Compound 1)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)CO)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-31-22-11-15(3-7-18(22)27)5-9-20(29)23(21(30)13-25)19(28)8-4-14-2-6-17(26)16(10-14)12-24/h2-11,23-27H,12-13H2,1H3/b8-4+,9-5+
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n/an/a 3.50E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM445064
PNG
(US10669227, Compound 8)
Show SMILES CNCc1ccc(\C=C\C(=O)C(C(=O)Nc2ccccc2)C(=O)\C=C\c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C30H31N3O3/c1-31-21-24-11-9-22(10-12-24)15-19-27(34)29(30(36)32-25-7-5-4-6-8-25)28(35)20-16-23-13-17-26(18-14-23)33(2)3/h4-20,29,31H,21H2,1-3H3,(H,32,36)/b19-15+,20-16+
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n/an/a 4.50E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM445058
PNG
(US10669227, Compound 1)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)CO)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-31-22-11-15(3-7-18(22)27)5-9-20(29)23(21(30)13-25)19(28)8-4-14-2-6-17(26)16(10-14)12-24/h2-11,23-27H,12-13H2,1H3/b8-4+,9-5+
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n/an/a 4.80E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50092158
PNG
(1,10-phenanthroline | CHEMBL415879 | US10669227, C...)
Show SMILES c1cnc2c(c1)ccc1cccnc21
Show InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
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n/an/a 7.00E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM445061
PNG
(US10669227, Compound 3)
Show SMILES OCC(=O)C(C(=O)\C=C\c1ccc(O)cc1)C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H18O6/c22-13-20(27)21(18(25)11-5-14-1-7-16(23)8-2-14)19(26)12-6-15-3-9-17(24)10-4-15/h1-12,21-24H,13H2/b11-5+,12-6+
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n/an/a 7.00E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM445062
PNG
(US10669227, Compound 6)
Show SMILES COc1cc(\C=C\C(=O)C(C(=O)Nc2ccccc2)C(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C28H25NO7/c1-36-26-16-19(8-12-23(26)32)10-14-25(34)27(28(35)29-21-5-3-2-4-6-21)24(33)13-9-18-7-11-22(31)20(15-18)17-30/h2-16,27,30-32H,17H2,1H3,(H,29,35)/b13-9+,14-10+
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n/an/a 8.50E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM191763
PNG
(US10669227, Compound Curcumin | US9187397, 1 | US9...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-27-21-11-15(5-9-20(21)26)3-7-18(24)12-17(23)6-2-14-4-8-19(25)16(10-14)13-22/h2-11,22,25-26H,12-13H2,1H3/b6-2+,7-3+
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n/an/a 8.50E+4n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM191763
PNG
(US10669227, Compound Curcumin | US9187397, 1 | US9...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(CO)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-27-21-11-15(5-9-20(21)26)3-7-18(24)12-17(23)6-2-14-4-8-19(25)16(10-14)13-22/h2-11,22,25-26H,12-13H2,1H3/b6-2+,7-3+
PDB
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n/an/a 1.10E+5n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM191770
PNG
(US10669227, Compound 7 | US9187406, Compound 7)
Show SMILES Oc1ccc(\C=C\C(=O)C(C(=O)Nc2ccccc2)C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H21NO5/c28-21-12-6-18(7-13-21)10-16-23(30)25(26(32)27-20-4-2-1-3-5-20)24(31)17-11-19-8-14-22(29)15-9-19/h1-17,25,28-29H,(H,27,32)/b16-10+,17-11+
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n/an/a 1.25E+5n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM445060
PNG
(US10669227, Compound 4)
Show SMILES CNCc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1
Show InChI InChI=1S/C22H23NO4/c1-23-15-18-5-3-16(4-6-18)7-10-19(24)14-20(25)11-8-17-9-12-21(26)22(13-17)27-2/h3-13,23,26H,14-15H2,1-2H3/b10-7+,11-8+
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n/an/a 2.50E+5n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM445060
PNG
(US10669227, Compound 4)
Show SMILES CNCc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1
Show InChI InChI=1S/C22H23NO4/c1-23-15-18-5-3-16(4-6-18)7-10-19(24)14-20(25)11-8-17-9-12-21(26)22(13-17)27-2/h3-13,23,26H,14-15H2,1-2H3/b10-7+,11-8+
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n/an/a>2.50E+5n/an/an/an/an/an/a



THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK

US Patent


Assay Description
It has been observed that 50 and 100 μM concentrations of curcumin decreased TNFα production by endotoxin-stimulated human monocytes (HMs) ...


US Patent US10669227 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%