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Patent code US10435405

Compile Data Set for Download or QSAR

Found 241 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
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414585
PNG
(US10435405, Example 4)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(Br)c3)n[nH]c2cn1
Show InChI InChI=1S/C20H14BrFN4O2/c1-28-17-7-3-6-14(22)18(17)15-9-13-16(10-23-15)25-26-19(13)24-20(27)11-4-2-5-12(21)8-11/h2-10H,1H3,(H2,24,25,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414603
PNG
(US10435405, Example 21)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(c3)N3CCN(CC(F)(F)F)C(=O)C3)n[nH]c2cn1
Show InChI InChI=1S/C26H22F4N6O3/c1-39-21-7-3-6-18(27)23(21)19-11-17-20(12-31-19)33-34-24(17)32-25(38)15-4-2-5-16(10-15)35-8-9-36(22(37)13-35)14-26(28,29)30/h2-7,10-12H,8-9,13-14H2,1H3,(H2,32,33,34,38)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414604
PNG
(US10435405, Example 22)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(c3)N3CCN(CC3)S(C)(=O)=O)n[nH]c2cn1
Show InChI InChI=1S/C25H25FN6O4S/c1-36-22-8-4-7-19(26)23(22)20-14-18-21(15-27-20)29-30-24(18)28-25(33)16-5-3-6-17(13-16)31-9-11-32(12-10-31)37(2,34)35/h3-8,13-15H,9-12H2,1-2H3,(H2,28,29,30,33)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414612
PNG
(US10435405, Example 29)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(cc3)N3CCN(CC(F)(F)F)C(=O)C3)n[nH]c2cn1
Show InChI InChI=1S/C26H22F4N6O3/c1-39-21-4-2-3-18(27)23(21)19-11-17-20(12-31-19)33-34-24(17)32-25(38)15-5-7-16(8-6-15)35-9-10-36(22(37)13-35)14-26(28,29)30/h2-8,11-12H,9-10,13-14H2,1H3,(H2,32,33,34,38)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414623
PNG
(US10435405, Example 40)
Show SMILES COc1cccc(F)c1-c1cc2c(n[nH]c2cn1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-4-2-3-17(23)21(20)18-13-16-19(14-25-18)26-27-22(16)29-11-9-28(10-12-29)15-5-7-24-8-6-15/h2-8,13-14H,9-12H2,1H3,(H,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414632
PNG
(US10435405, Example 49)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cnc(cc12)-c1c(C)cccc1F
Show InChI InChI=1S/C24H24FN5/c1-16-4-3-5-20(25)23(16)21-14-19-22(15-26-21)27-28-24(19)17-6-8-18(9-7-17)30-12-10-29(2)11-13-30/h3-9,14-15H,10-13H2,1-2H3,(H,27,28)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414647
PNG
(US10435405, Example 64)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cc(NC(=O)CN2CCCC2)cc1F
Show InChI InChI=1S/C22H21F2N7O/c1-30-11-13(9-26-30)22-15-8-18(25-10-19(15)28-29-22)21-16(23)6-14(7-17(21)24)27-20(32)12-31-4-2-3-5-31/h6-11H,2-5,12H2,1H3,(H,27,32)(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414667
PNG
(US10435405, Example 84)
Show SMILES CN(C)CCC(=O)Nc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C22H24FN7O/c1-13-7-15(26-20(31)5-6-29(2)3)8-17(23)21(13)18-9-16-19(11-24-18)27-28-22(16)14-10-25-30(4)12-14/h7-12H,5-6H2,1-4H3,(H,26,31)(H,27,28)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414683
PNG
(US10435405, Example 100)
Show SMILES CNC(=O)c1ccc(cc1F)-c1n[nH]c2cnc(cc12)-c1c(F)cccc1OC
Show InChI InChI=1S/C21H16F2N4O2/c1-24-21(28)12-7-6-11(8-15(12)23)20-13-9-16(25-10-17(13)26-27-20)19-14(22)4-3-5-18(19)29-2/h3-10H,1-2H3,(H,24,28)(H,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414688
PNG
(US10435405, Example 105)
Show SMILES CNC(=O)c1cn(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cccc1OC
Show InChI InChI=1S/C18H15FN6O2/c1-20-18(26)14-8-25(9-22-14)17-10-6-12(21-7-13(10)23-24-17)16-11(19)4-3-5-15(16)27-2/h3-9H,1-2H3,(H,20,26)(H,23,24)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414718
PNG
(US10435405, Example 135)
Show SMILES CNCc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(c1)-c1ccccc1C#N
Show InChI InChI=1S/C25H20FN7/c1-15-7-16(11-28-2)8-20(26)24(15)21-9-19-22(13-29-21)31-32-25(19)18-12-30-33(14-18)23-6-4-3-5-17(23)10-27/h3-9,12-14,28H,11H2,1-2H3,(H,31,32)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414742
PNG
(US10435405, Example 159)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3cnc(cc23)-c2c(C)cccc2F)c(NCc2ccnn2C)c1
Show InChI InChI=1S/C30H32FN9O/c1-19-5-4-6-24(31)28(19)26-16-23-27(18-33-26)36-37-29(23)35-30(41)22-8-7-20(40-13-11-38(2)12-14-40)15-25(22)32-17-21-9-10-34-39(21)3/h4-10,15-16,18,32H,11-14,17H2,1-3H3,(H2,35,36,37,41)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414754
PNG
(US10435405, Example 171 | US10435405, Example 172)
Show SMILES Cc1cc(cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1)C1CCCN1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414766
PNG
(1-(3-Fluoro-5-methyl-4-(3- (1-methyl-1H-pyrazol-4-...)
Show SMILES Cc1cc(CN2CCC(O)C2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414794
PNG
(US10435405, Example 211)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cc(CC#N)cc1F
Show InChI InChI=1S/C23H20F2N8/c1-32-4-6-33(7-5-32)23-28-11-15(12-29-23)22-16-10-19(27-13-20(16)30-31-22)21-17(24)8-14(2-3-26)9-18(21)25/h8-13H,2,4-7H2,1H3,(H,30,31)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414797
PNG
(US10435405, Example 214)
Show SMILES CNC1CCc2cc(F)c(c(F)c2C1)-c1ncc2[nH]nc(-c3cnn(C)c3)c2c1OC
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414800
PNG
(US10435405, Example 217)
Show SMILES CNCc1cc(F)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H24F2N8/c1-26-10-14-7-17(24)21(18(25)8-14)19-9-16-20(13-27-19)30-31-22(16)15-11-28-23(29-12-15)33-5-3-32(2)4-6-33/h7-9,11-13,26H,3-6,10H2,1-2H3,(H,30,31)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414812
PNG
(US10435405, Example 229)
Show SMILES CN[C@@H](C)c1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(c1)C1CC1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414814
PNG
(US10435405, Example 231)
Show SMILES CCn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(C)cc(cc1F)[C@H]1CCCCN1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414588
PNG
(US10435405, Example 6)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(F)c3)n[nH]c2cn1
Show InChI InChI=1S/C20H14F2N4O2/c1-28-17-7-3-6-14(22)18(17)15-9-13-16(10-23-15)25-26-19(13)24-20(27)11-4-2-5-12(21)8-11/h2-10H,1H3,(H2,24,25,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414594
PNG
(US10435405, Example 12)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(F)c(F)c3)n[nH]c2cn1
Show InChI InChI=1S/C20H13F3N4O2/c1-29-17-4-2-3-13(22)18(17)15-8-11-16(9-24-15)26-27-19(11)25-20(28)10-5-6-12(21)14(23)7-10/h2-9H,1H3,(H2,25,26,27,28)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414597
PNG
(US10435405, Example 15)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3ccn(C)n3)n[nH]c2cn1
Show InChI InChI=1S/C18H15FN6O2/c1-25-7-6-12(24-25)18(26)21-17-10-8-13(20-9-14(10)22-23-17)16-11(19)4-3-5-15(16)27-2/h3-9H,1-2H3,(H2,21,22,23,26)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414601
PNG
(US10435405, Example 19)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(c3)N3CCN(C)C(=O)C3)n[nH]c2cn1
Show InChI InChI=1S/C25H23FN6O3/c1-31-9-10-32(14-22(31)33)16-6-3-5-15(11-16)25(34)28-24-17-12-19(27-13-20(17)29-30-24)23-18(26)7-4-8-21(23)35-2/h3-8,11-13H,9-10,14H2,1-2H3,(H2,28,29,30,34)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414615
PNG
(US10435405, Example 32)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(cc3)N3CCN(CC3)S(C)(=O)=O)n[nH]c2cn1
Show InChI InChI=1S/C25H25FN6O4S/c1-36-22-5-3-4-19(26)23(22)20-14-18-21(15-27-20)29-30-24(18)28-25(33)16-6-8-17(9-7-16)31-10-12-32(13-11-31)37(2,34)35/h3-9,14-15H,10-13H2,1-2H3,(H2,28,29,30,33)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414621
PNG
(US10435405, Example 38)
Show SMILES COc1cccc(F)c1-c1cc2c(n[nH]c2cn1)N1CCc2ccc(cc2C1)C#N
Show InChI InChI=1S/C23H18FN5O/c1-30-21-4-2-3-18(24)22(21)19-10-17-20(12-26-19)27-28-23(17)29-8-7-15-6-5-14(11-25)9-16(15)13-29/h2-6,9-10,12H,7-8,13H2,1H3,(H,27,28)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414627
PNG
(US10435405, Example 44)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cnc(cc12)-c1c(F)cccc1F
Show InChI InChI=1S/C23H21F2N5/c1-29-9-11-30(12-10-29)16-7-5-15(6-8-16)23-17-13-20(26-14-21(17)27-28-23)22-18(24)3-2-4-19(22)25/h2-8,13-14H,9-12H2,1H3,(H,27,28)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414638
PNG
(US10435405, Example 55)
Show SMILES COc1cccc(F)c1-c1cc2c(n[nH]c2cn1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-21-4-2-3-18(25)22(21)19-13-17-20(14-26-19)28-29-23(17)24(31)27-15-5-7-16(8-6-15)30-9-11-33-12-10-30/h2-8,13-14H,9-12H2,1H3,(H,27,31)(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414648
PNG
(US10435405, Example 65)
Show SMILES Cn1cc(cn1)C(=O)Nc1cc(F)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C21H16F2N8O/c1-30-9-11(6-25-30)20-14-5-17(24-8-18(14)28-29-20)19-15(22)3-13(4-16(19)23)27-21(32)12-7-26-31(2)10-12/h3-10H,1-2H3,(H,27,32)(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414652
PNG
(US10435405, Example 69)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cc(NC(=O)CN2CC3(C2)CCOCC3)cc1F
Show InChI InChI=1S/C25H25F2N7O2/c1-33-11-15(9-29-33)24-17-8-20(28-10-21(17)31-32-24)23-18(26)6-16(7-19(23)27)30-22(35)12-34-13-25(14-34)2-4-36-5-3-25/h6-11H,2-5,12-14H2,1H3,(H,30,35)(H,31,32)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414661
PNG
(US10435405, Example 78)
Show SMILES CN(C)CC(=O)Nc1cc(C)c(c(Cl)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C21H22ClN7O/c1-12-5-14(25-19(30)11-28(2)3)6-16(22)20(12)17-7-15-18(9-23-17)26-27-21(15)13-8-24-29(4)10-13/h5-10H,11H2,1-4H3,(H,25,30)(H,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414681
PNG
(US10435405, Example 98)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)ccc(CCNC2CCOCC2)c1F
Show InChI InChI=1S/C23H24F2N6O/c1-31-13-15(11-28-31)23-17-10-19(27-12-20(17)29-30-23)21-18(24)3-2-14(22(21)25)4-7-26-16-5-8-32-9-6-16/h2-3,10-13,16,26H,4-9H2,1H3,(H,29,30)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414685
PNG
(US10435405, Example 102)
Show SMILES CNC(=O)c1ccc(cc1OC)-c1n[nH]c2cnc(cc12)-c1c(F)cccc1OC
Show InChI InChI=1S/C22H19FN4O3/c1-24-22(28)13-8-7-12(9-19(13)30-3)21-14-10-16(25-11-17(14)26-27-21)20-15(23)5-4-6-18(20)29-2/h4-11H,1-3H3,(H,24,28)(H,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414694
PNG
(US10435405, Example 111)
Show SMILES CNCc1ccc(c(C)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C19H20N6/c1-12-6-13(8-20-2)4-5-15(12)17-7-16-18(10-21-17)23-24-19(16)14-9-22-25(3)11-14/h4-7,9-11,20H,8H2,1-3H3,(H,23,24)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414701
PNG
(US10435405, Example 118)
Show SMILES CCN(C)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1c(C)cc(CNC)cc1F
Show InChI InChI=1S/C23H25FN6/c1-5-30(4)21-8-6-7-18(27-21)23-16-11-19(26-13-20(16)28-29-23)22-14(2)9-15(12-25-3)10-17(22)24/h6-11,13,25H,5,12H2,1-4H3,(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414707
PNG
(US10435405, Example 124)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cc(CNc2ccccn2)cc1F
Show InChI InChI=1S/C22H17F2N7/c1-31-12-14(10-28-31)22-15-8-18(26-11-19(15)29-30-22)21-16(23)6-13(7-17(21)24)9-27-20-4-2-3-5-25-20/h2-8,10-12H,9H2,1H3,(H,25,27)(H,29,30)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414709
PNG
(US10435405, Example 126)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(F)cc(CNCCO)cc1F
Show InChI InChI=1S/C19H18F2N6O/c1-27-10-12(8-24-27)19-13-6-16(23-9-17(13)25-26-19)18-14(20)4-11(5-15(18)21)7-22-2-3-28/h4-6,8-10,22,28H,2-3,7H2,1H3,(H,25,26)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414723
PNG
(US10435405, Example 140)
Show SMILES CC(C)NCc1cc(F)c(c(F)c1)-c1cc2c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1
Show InChI InChI=1S/C28H31F2N7O/c1-17(2)31-15-18-12-22(29)26(23(30)13-18)24-14-21-25(16-32-24)34-35-27(21)33-28(38)19-4-6-20(7-5-19)37-10-8-36(3)9-11-37/h4-7,12-14,16-17,31H,8-11,15H2,1-3H3,(H2,33,34,35,38)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414726
PNG
(US10435405, Example 143)
Show SMILES COC1CN(Cc2cc(F)c(c(F)c2)-c2cc3c(NC(=O)c4ccc(cc4)N4CCN(C)CC4)n[nH]c3cn2)C1
Show InChI InChI=1S/C29H31F2N7O2/c1-36-7-9-38(10-8-36)20-5-3-19(4-6-20)29(39)33-28-22-13-25(32-14-26(22)34-35-28)27-23(30)11-18(12-24(27)31)15-37-16-21(17-37)40-2/h3-6,11-14,21H,7-10,15-17H2,1-2H3,(H2,33,34,35,39)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414730
PNG
(US10435405, Example 147)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2cnc(cc12)-c1c(F)cc(CNC(C)C)cc1F
Show InChI InChI=1S/C29H31F2N7O3/c1-17(2)32-15-18-12-22(30)26(23(31)13-18)24-14-21-25(16-33-24)35-36-27(21)34-28(39)19-4-6-20(7-5-19)37-8-10-38(11-9-37)29(40)41-3/h4-7,12-14,16-17,32H,8-11,15H2,1-3H3,(H2,34,35,36,39)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414737
PNG
(US10435405, Example 154)
Show SMILES CCNCc1cc(F)c(-c2cc3c(NC(=O)c4ccc(cc4)N4CCN(C)CC4)n[nH]c3cn2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N7O/c1-3-33-15-17-12-21(28(30,31)32)25(22(29)13-17)23-14-20-24(16-34-23)36-37-26(20)35-27(40)18-4-6-19(7-5-18)39-10-8-38(2)9-11-39/h4-7,12-14,16,33H,3,8-11,15H2,1-2H3,(H2,35,36,37,40)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414749
PNG
(US10435405, Example 166)
Show SMILES CNCc1cc(F)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C24H24F2N6O/c1-27-11-14-8-18(25)23(19(26)9-14)20-10-17-21(13-28-20)30-31-24(17)15-2-3-22(29-12-15)32-6-4-16(33)5-7-32/h2-3,8-10,12-13,16,27,33H,4-7,11H2,1H3,(H,30,31)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414756
PNG
(US10435405, Example 173)
Show SMILES CN1CCCC1c1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414761
PNG
(N-(3-Fluoro-5-methyl-4-(3- (1-methyl-1H-pyrazol-4-...)
Show SMILES CC(C)NCc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C21H23FN6/c1-12(2)23-8-14-5-13(3)20(17(22)6-14)18-7-16-19(10-24-18)26-27-21(16)15-9-25-28(4)11-15/h5-7,9-12,23H,8H2,1-4H3,(H,26,27)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414763
PNG
(2-(3-Fluoro-5-methyl-4-(3- (1-methyl-1H-pyrazol-4-...)
Show SMILES Cc1cc(CNCCO)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C20H21FN6O/c1-12-5-13(8-22-3-4-28)6-16(21)19(12)17-7-15-18(10-23-17)25-26-20(15)14-9-24-27(2)11-14/h5-7,9-11,22,28H,3-4,8H2,1-2H3,(H,25,26)
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Incyte Corporation

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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414764
PNG
(3-(3-Fluoro-5-methyl-4-(3- (1-methyl-1H-pyrazol-4-...)
Show SMILES Cc1cc(CNC2CC(O)C2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23FN6O/c1-12-3-13(8-24-15-5-16(30)6-15)4-18(23)21(12)19-7-17-20(10-25-19)27-28-22(17)14-9-26-29(2)11-14/h3-4,7,9-11,15-16,24,30H,5-6,8H2,1-2H3,(H,27,28)
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<100n/an/an/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414774
PNG
(US10435405, Example 191)
Show SMILES CC(=O)NCc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19FN6O/c1-11-4-13(7-22-12(2)28)5-16(21)19(11)17-6-15-18(9-23-17)25-26-20(15)14-8-24-27(3)10-14/h4-6,8-10H,7H2,1-3H3,(H,22,28)(H,25,26)
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Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414813
PNG
(US10435405, Example 230)
Show SMILES CCn1cc(cn1)-c1n[nH]c2cnc(cc12)-c1c(C)cc(cc1F)[C@@H]1CCCCN1
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Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414815
PNG
(US10435405, Example 232 | US10435405, Example 233)
Show SMILES Cc1cc(cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(c1)C1CC1)[C@H]1CCCCN1
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Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414818
PNG
(US10435405, Example 235)
Show SMILES CNCc1cc(F)c(-c2cc3c(n[nH]c3cn2)-c2cnn(C)c2)c(c1)C(F)F
Show InChI InChI=1S/C19H17F3N6/c1-23-6-10-3-13(19(21)22)17(14(20)4-10)15-5-12-16(8-24-15)26-27-18(12)11-7-25-28(2)9-11/h3-5,7-9,19,23H,6H2,1-2H3,(H,26,27)
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Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM414582
PNG
(US10435405, Example 2)
Show SMILES COc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(C)cc3)n[nH]c2cn1
Show InChI InChI=1S/C21H17FN4O2/c1-12-6-8-13(9-7-12)21(27)24-20-14-10-16(23-11-17(14)25-26-20)19-15(22)4-3-5-18(19)28-2/h3-11H,1-2H3,(H2,24,25,26,27)
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Incyte Corporation

US Patent


Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10435405 (2019)


BindingDB Entry DOI: 10.7270/Q2W37ZPX
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%