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Patent code US10106521

Compile Data Set for Download or QSAR
Found 18 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
Cholinesterase


(Homo sapiens (human))
BDBM50276756
PNG
(4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]diben...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
Show InChI InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H
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US Patent
n/an/a 1.00E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293401
PNG
(US10106521, Compound 9''-O-Methyl Dieckol)
Show SMILES COc1cc(Oc2c(O)cc(Oc3c(O)cc(O)c4Oc5cc(O)cc(O)c5Oc34)cc2O)cc2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C37H24O18/c1-48-26-9-18(10-28-35(26)55-37-32(23(45)12-25(47)34(37)53-28)50-16-3-13(38)2-14(39)4-16)49-29-20(42)7-17(8-21(29)43)51-31-22(44)11-24(46)33-36(31)54-30-19(41)5-15(40)6-27(30)52-33/h2-12,38-47H,1H3
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n/an/a 1.40E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293404
PNG
(US10106521, Compound 14-O-Methyl Phlorofucofuroeck...)
Show SMILES COc1cc2oc3c(Oc4cc(O)cc(O)c4)c(O)cc(O)c3c2c2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C31H20O14/c1-40-22-10-21-24(23-17(36)8-18(37)25(29(23)43-21)41-15-4-11(32)2-12(33)5-15)30-28(22)45-31-26(19(38)9-20(39)27(31)44-30)42-16-6-13(34)3-14(35)7-16/h2-10,32-39H,1H3
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n/an/a 1.50E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293402
PNG
(US10106521, Compound 9''-O-Benzyl Dieckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(OCc5ccccc5)c4Oc23)c1
Show InChI InChI=1S/C43H28O18/c44-19-6-20(45)8-22(7-19)56-38-29(51)16-31(53)40-43(38)61-41-32(54-17-18-4-2-1-3-5-18)13-24(14-34(41)59-40)55-35-26(48)11-23(12-27(35)49)57-37-28(50)15-30(52)39-42(37)60-36-25(47)9-21(46)10-33(36)58-39/h1-16,44-53H,17H2
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n/an/a 1.50E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50259983
PNG
(CHEMBL508791 | US10106521, Compound Dieckol | diec...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
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n/an/a 2.50E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293405
PNG
(US10106521, Compound 14-O-Benzyl Phlorofucofuroeck...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(OCc2ccccc2)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
Show InChI InChI=1S/C37H24O14/c38-17-6-18(39)9-21(8-17)47-31-24(43)12-23(42)29-30-27(49-35(29)31)14-28(46-15-16-4-2-1-3-5-16)34-36(30)50-33-26(45)13-25(44)32(37(33)51-34)48-22-10-19(40)7-20(41)11-22/h1-14,38-45H,15H2
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n/an/a 2.50E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293399
PNG
(US10106521, Compound 9-O-Benzyl Eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(OCc5ccccc5)c4Oc23)c1
Show InChI InChI=1S/C25H18O9/c26-14-6-15(27)8-17(7-14)32-22-18(29)11-19(30)23-25(22)34-24-20(9-16(28)10-21(24)33-23)31-12-13-4-2-1-3-5-13/h1-11,26-30H,12H2
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n/an/a 8.60E+3n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM293398
PNG
(US10106521, Compound 9-O-Methyl Eckol)
Show SMILES COc1cc(O)cc2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C19H14O9/c1-25-14-5-10(22)6-15-18(14)28-19-16(12(23)7-13(24)17(19)27-15)26-11-3-8(20)2-9(21)4-11/h2-7,20-24H,1H3
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n/an/a 1.01E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293405
PNG
(US10106521, Compound 14-O-Benzyl Phlorofucofuroeck...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(OCc2ccccc2)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
Show InChI InChI=1S/C37H24O14/c38-17-6-18(39)9-21(8-17)47-31-24(43)12-23(42)29-30-27(49-35(29)31)14-28(46-15-16-4-2-1-3-5-16)34-36(30)50-33-26(45)13-25(44)32(37(33)51-34)48-22-10-19(40)7-20(41)11-22/h1-14,38-45H,15H2
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n/an/a 2.32E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50259983
PNG
(CHEMBL508791 | US10106521, Compound Dieckol | diec...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
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n/an/a 2.34E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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n/an/a 3.32E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293401
PNG
(US10106521, Compound 9''-O-Methyl Dieckol)
Show SMILES COc1cc(Oc2c(O)cc(Oc3c(O)cc(O)c4Oc5cc(O)cc(O)c5Oc34)cc2O)cc2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C37H24O18/c1-48-26-9-18(10-28-35(26)55-37-32(23(45)12-25(47)34(37)53-28)50-16-3-13(38)2-14(39)4-16)49-29-20(42)7-17(8-21(29)43)51-31-22(44)11-24(46)33-36(31)54-30-19(41)5-15(40)6-27(30)52-33/h2-12,38-47H,1H3
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n/an/a 3.32E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293398
PNG
(US10106521, Compound 9-O-Methyl Eckol)
Show SMILES COc1cc(O)cc2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C19H14O9/c1-25-14-5-10(22)6-15-18(14)28-19-16(12(23)7-13(24)17(19)27-15)26-11-3-8(20)2-9(21)4-11/h2-7,20-24H,1H3
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n/an/a 3.42E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293399
PNG
(US10106521, Compound 9-O-Benzyl Eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(OCc5ccccc5)c4Oc23)c1
Show InChI InChI=1S/C25H18O9/c26-14-6-15(27)8-17(7-14)32-22-18(29)11-19(30)23-25(22)34-24-20(9-16(28)10-21(24)33-23)31-12-13-4-2-1-3-5-13/h1-11,26-30H,12H2
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n/an/a 4.01E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293402
PNG
(US10106521, Compound 9''-O-Benzyl Dieckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(OCc5ccccc5)c4Oc23)c1
Show InChI InChI=1S/C43H28O18/c44-19-6-20(45)8-22(7-19)56-38-29(51)16-31(53)40-43(38)61-41-32(54-17-18-4-2-1-3-5-18)13-24(14-34(41)59-40)55-35-26(48)11-23(12-27(35)49)57-37-28(50)15-30(52)39-42(37)60-36-25(47)9-21(46)10-33(36)58-39/h1-16,44-53H,17H2
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n/an/a 4.19E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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n/an/a 4.51E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM293404
PNG
(US10106521, Compound 14-O-Methyl Phlorofucofuroeck...)
Show SMILES COc1cc2oc3c(Oc4cc(O)cc(O)c4)c(O)cc(O)c3c2c2Oc3c(O)cc(O)c(Oc4cc(O)cc(O)c4)c3Oc12
Show InChI InChI=1S/C31H20O14/c1-40-22-10-21-24(23-17(36)8-18(37)25(29(23)43-21)41-15-4-11(32)2-12(33)5-15)30-28(22)45-31-26(19(38)9-20(39)27(31)44-30)42-16-6-13(34)3-14(35)7-16/h2-10,32-39H,1H3
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n/an/a 6.56E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50276756
PNG
(4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]diben...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
Show InChI InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H
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n/an/a 9.41E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)

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