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Compile Data Set for Download or QSAR

Found 20 hits of Enz. Inhib. data with enzyme = 'Cholinesterase' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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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))
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))
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))
BDBM294223
PNG
(()-3-(1-(dimethylamino)ethyl)-1-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)11-8-14(19)16-12-6-4-5-7-13(12)17(20)21-15(16)9-11/h4-10,19H,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294226
PNG
(()-1-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)26-14-11-17(13(2)22(3)4)19-15-9-7-8-10-16(15)20(24)27-18(19)12-14/h7-13H,6H2,1-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

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
Cholinesterase


(Homo sapiens (human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294225
PNG
(()-3-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C21H24N2O4/c1-6-23(5)21(25)27-18-12-14(13(2)22(3)4)11-17-19(18)15-9-7-8-10-16(15)20(24)26-17/h7-13H,6H2,1-5H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294220
PNG
((S)-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3/t11-/m0/s1
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n/an/a 1.62E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294219
PNG
(()-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12/h4-11H,1-3H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294221
PNG
(()-3-(1-(dimethylamino)ethyl)-1-methoxy-6H-benzo[...)
Show SMILES COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)12-9-15(21-4)17-13-7-5-6-8-14(13)18(20)22-16(17)10-12/h5-11H,1-4H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM294222
PNG
(()-1-(1-(dimethylamino)ethyl)-3-methoxy-6H-benzo[...)
Show SMILES COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C18H19NO3/c1-11(19(2)3)15-9-12(21-4)10-16-17(15)13-7-5-6-8-14(13)18(20)22-16/h5-11H,1-4H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

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
Cholinesterase


(Homo sapiens (human))
BDBM294224
PNG
(()-1-(1-(dimethylamino)ethyl)-3-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)cc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C17H17NO3/c1-10(18(2)3)14-8-11(19)9-15-16(14)12-6-4-5-7-13(12)17(20)21-15/h4-10,19H,1-3H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)

More data for this
Ligand-Target Pair