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Patent code US10434085

Compile Data Set for Download or QSAR
Found 14 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 7


(Homo sapiens (Human))
BDBM414418
PNG
(5Z-7-Oxozeaenol | US10434085, Compound (5Z)-7-oxoz...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129131
PNG
(CHEBI:83275 | HYPOTHEMYCIN | Hypothemycin | US1043...)
Show SMILES COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O
Show InChI InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM414427
PNG
(US10434085, Compound 5)
Show SMILES COC1=CC(=O)C2=C(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)C1(F)F
Show InChI InChI=1S/C19H20F2O7/c1-10-5-3-7-12(22)17(25)13(23)8-4-6-11-16(18(26)28-10)14(24)9-15(27-2)19(11,20)21/h3-4,6-7,9-10,13,17,23,25H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,17+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129129
PNG
(CHEMBL3629242 | US10434085, Compound 7)
Show SMILES COc1cc(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br
Show InChI InChI=1S/C19H21BrO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,13,18,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,18+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129128
PNG
(CHEMBL3629243 | US10434085, Compound 10)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@@H]1OC(C)(C)O[C@@H]1C(=O)\C=C/C[C@H](C)OC2=O
Show InChI InChI=1S/C22H26O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8-9,11-13,18,20,24H,7,10H2,1-4H3/b8-6+,9-5-/t13-,18-,20?/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM414425
PNG
(US10434085, Compound alglalomycin)
Show SMILES COc1cc(O)c2c(c1)[C@@H]1O[C@H]1C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O
Show InChI InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15-,17+,18-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129126
PNG
((5E)-7-Oxozeaenol | CHEBI:67558 | CHEMBL1801950 | ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129125
PNG
(CHEMBL3629245 | US10434085, Compound 6)
Show SMILES COc1cc2\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c2c(O)c1Br
Show InChI InChI=1S/C19H21BrO7/c1-10-5-3-7-12(21)17(23)13(22)8-4-6-11-9-14(26-2)16(20)18(24)15(11)19(25)27-10/h3-4,6-7,9-10,13,17,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,17+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951 | US10434085, Compound LL-Z164-1)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129124
PNG
(CHEMBL3629246 | US10434085, Compound 8)
Show SMILES COc1c(Br)c(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br
Show InChI InChI=1S/C19H20Br2O7/c1-9-5-3-7-11(22)16(24)12(23)8-4-6-10-13(19(26)28-9)17(25)15(21)18(27-2)14(10)20/h3-4,6-7,9,12,16,23-25H,5,8H2,1-2H3/b6-4+,7-3-/t9-,12-,16+/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50347544
PNG
(US10434085, Compound zeaenol | ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50129086
PNG
(CHEMBL3629247 | US10434085, Compound dihydrohypoth...)
Show SMILES COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h6-7,9,14-15,17-18,21-23H,3-5,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM414431
PNG
(US10434085, Compound 9)
Show SMILES COc1cc(O)c2c(c1)\C=C\CC1CCCC(C[C@H](C)OC2=O)O1
Show InChI InChI=1S/C19H24O5/c1-12-9-15-8-4-7-14(24-15)6-3-5-13-10-16(22-2)11-17(20)18(13)19(21)23-12/h3,5,10-12,14-15,20H,4,6-9H2,1-2H3/b5-3+/t12-,14?,15?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM414426
PNG
(US10434085, Compound 4)
Show SMILES COC(=O)c1c(OC)cc(OC)cc1\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C=C\C
Show InChI InChI=1S/C21H26O7/c1-5-6-7-10-16(22)20(24)17(23)11-8-9-14-12-15(26-2)13-18(27-3)19(14)21(25)28-4/h5-10,12-13,17,20,23-24H,11H2,1-4H3/b6-5-,9-8+,10-7-/t17-,20+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

US Patent


Assay Description
The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...


US Patent US10434085 (2019)


BindingDB Entry DOI: 10.7270/Q2SB483C
More data for this
Ligand-Target Pair