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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'nguyen' and Initial = 'dh'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241345
PNG
(Apigenin 7-O-β-D-glucuronide (9) | CHEMBL2542...)
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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2.80E+3n/an/an/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226157
PNG
(PTP1B spring 7 (7))
Show SMILES COc1ccc(-c2ccc(O)cc2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C34H26O5/c1-39-32-21-20-30(23-5-13-27(36)14-6-23)34(31(32)19-4-22-2-11-26(35)12-3-22)33(24-7-15-28(37)16-8-24)25-9-17-29(38)18-10-25/h2-3,5-18,20-21,33,35-38H,1H3
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3.00E+3 -32.8 4.80E+3n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226153
PNG
(Selaginellin U (2))
Show SMILES [#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:16,20|
Show InChI InChI=1S/C34H24O4/c1-22-2-20-32(24-6-14-28(36)15-7-24)34(31(22)21-5-23-3-12-27(35)13-4-23)33(25-8-16-29(37)17-9-25)26-10-18-30(38)19-11-26/h2-4,6-20,35-37H,1H3
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9.70E+3 -29.8 1.38E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226155
PNG
(Selaginellin W (4))
Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2-[#8])c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:28,32|
Show InChI InChI=1S/C33H22O5/c34-25-12-5-21(6-13-25)4-7-22-2-1-3-30(29-19-18-28(37)20-31(29)38)33(22)32(23-8-14-26(35)15-9-23)24-10-16-27(36)17-11-24/h1-3,5-6,8-20,34-35,37-38H
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1.11E+4 -29.4 1.46E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226154
PNG
(Selaginellin V (3))
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])C#Cc1c(-[#6]-[#8])ccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:31,35|
Show InChI InChI=1S/C35H26O6/c1-41-33-20-22(3-19-32(33)40)2-17-31-26(21-36)10-18-30(23-4-11-27(37)12-5-23)35(31)34(24-6-13-28(38)14-7-24)25-8-15-29(39)16-9-25/h3-16,18-20,36-38,40H,21H2,1H3
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1.13E+4 -29.4 1.45E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226156
PNG
(PTP1B spring 5 (5))
Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2-[#8])c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:18,22|
Show InChI InChI=1S/C34H24O6/c35-20-24-8-17-31(30-18-15-28(39)19-32(30)40)34(29(24)16-3-21-1-9-25(36)10-2-21)33(22-4-11-26(37)12-5-22)23-6-13-27(38)14-7-23/h1-2,4-15,17-19,35-37,39-40H,20H2
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1.39E+4 -28.8 1.59E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50093523
PNG
(CHEMBL3585679 | PTP1B spring 6 (6))
Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)
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1.45E+4 -28.7 1.32E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 770n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 4.50E+3n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241345
PNG
(Apigenin 7-O-β-D-glucuronide (9) | CHEMBL2542...)
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a 7.14E+3n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 7.73E+3n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 9.43E+3n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226177
PNG
(Agritannin (1))
Show SMILES OCC1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(O)c(O)c(c3O)-c3c(O)c(O)cc(c3O)C(=O)O[C@H]2[C@@H]1O |r|
Show InChI InChI=1/C27H22O18/c28-5-13-21(38)22-23(27(42-13)45-24(39)6-1-9(29)18(35)10(30)2-6)44-26(41)8-4-12(32)20(37)15(17(8)34)14-16(33)7(25(40)43-22)3-11(31)19(14)36/h1-4,13,21-23,27-38H,5H2/t13?,21-,22+,23?,27-/s2
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n/an/a 1.70E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226184
PNG
(Luteolin 7-O-β-D-glucuronide (14))
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/s2
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n/an/a 3.81E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 4.09E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226181
PNG
(Kaempferol 7-O-β-D-glucuronide (5))
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)18-15(26)13(24)12-10(23)5-9(6-11(12)32-18)31-21-17(28)14(25)16(27)19(33-21)20(29)30/h1-6,14,16-17,19,21-23,25-28H,(H,29,30)/t14-,16-,17+,19-,21+/s2
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n/an/a 4.83E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226185
PNG
(Luteolin 7-O-β-D-glucuronide methyl ester (15...)
Show SMILES O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1/C22H20O13/c23-10-2-1-8(3-11(10)24)14-6-13(26)16-12(25)4-9(5-15(16)34-14)32-7-33-22(31)20-18(28)17(27)19(29)21(30)35-20/h1-6,17-21,23-25,27-30H,7H2/t17-,18-,19+,20-,21+/s2
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n/an/a 4.91E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226152
PNG
(Selaginellin T (1))
Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:27,31|
Show InChI InChI=1S/C33H22O4/c34-27-14-5-22(6-15-27)4-7-24-2-1-3-31(23-8-16-28(35)17-9-23)33(24)32(25-10-18-29(36)19-11-25)26-12-20-30(37)21-13-26/h1-3,5-6,8-21,34-36H
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n/an/a 5.80E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226177
PNG
(Agritannin (1))
Show SMILES OCC1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(O)c(O)c(c3O)-c3c(O)c(O)cc(c3O)C(=O)O[C@H]2[C@@H]1O |r|
Show InChI InChI=1/C27H22O18/c28-5-13-21(38)22-23(27(42-13)45-24(39)6-1-9(29)18(35)10(30)2-6)44-26(41)8-4-12(32)20(37)15(17(8)34)14-16(33)7(25(40)43-22)3-11(31)19(14)36/h1-4,13,21-23,27-38H,5H2/t13?,21-,22+,23?,27-/s2
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n/an/a 6.02E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226182
PNG
(Kaempferol 3-O-β-D-glucoside (6))
Show SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/s2
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n/an/a 6.07E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241345
PNG
(Apigenin 7-O-β-D-glucuronide (9) | CHEMBL2542...)
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a 6.30E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226178
PNG
(Agriflavone (2))
Show SMILES COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H]1O |r|
Show InChI InChI=1/C27H28O15/c1-37-25(36)23-22(35)24(42-26-21(34)20(33)19(32)17(9-28)40-26)27(41-23)38-12-6-13(30)18-14(31)8-15(39-16(18)7-12)10-2-4-11(29)5-3-10/h2-8,17,19-24,26-30,32-35H,9H2,1H3/t17?,19-,20?,21+,22+,23+,24?,26+,27-/s2
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n/an/a 6.34E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226180
PNG
(Kaempferol 7-O-β-D-glucoside (4))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/s2
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n/an/a 6.39E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226181
PNG
(Kaempferol 7-O-β-D-glucuronide (5))
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)18-15(26)13(24)12-10(23)5-9(6-11(12)32-18)31-21-17(28)14(25)16(27)19(33-21)20(29)30/h1-6,14,16-17,19,21-23,25-28H,(H,29,30)/t14-,16-,17+,19-,21+/s2
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n/an/a 6.40E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 6.43E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226185
PNG
(Luteolin 7-O-β-D-glucuronide methyl ester (15...)
Show SMILES O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1/C22H20O13/c23-10-2-1-8(3-11(10)24)14-6-13(26)16-12(25)4-9(5-15(16)34-14)32-7-33-22(31)20-18(28)17(27)19(29)21(30)35-20/h1-6,17-21,23-25,27-30H,7H2/t17-,18-,19+,20-,21+/s2
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n/an/a 6.59E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241242
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 7.16E+4n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 7.28E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226187
PNG
(Luteolin 3'-O-β-D-glucoside (17))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/s2
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n/an/a 7.46E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241242
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 7.47E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226186
PNG
(Luteolin 7-O-β-D-glucuronide butyl ester (16))
Show SMILES O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1/C25H26O13/c26-13-4-3-11(7-14(13)27)17-10-16(29)19-15(28)8-12(9-18(19)37-17)35-5-1-2-6-36-25(34)23-21(31)20(30)22(32)24(33)38-23/h3-4,7-10,20-24,26-28,30-33H,1-2,5-6H2/t20-,21-,22+,23-,24+/s2
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n/an/a 7.69E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM153265
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a 8.48E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226184
PNG
(Luteolin 7-O-β-D-glucuronide (14))
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/s2
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n/an/a 8.81E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226183
PNG
(Quercetin 3'-O-β-D-glucoside (12))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/s2
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n/an/a 8.92E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226182
PNG
(Kaempferol 3-O-β-D-glucoside (6))
Show SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/s2
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n/an/a 8.96E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226188
PNG
(dihydrodehydrodiconifeyl alcohol 9'-O-β-D...)
Show SMILES COc1cc(CCCO)cc2C(CO)C(Oc12)c1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)c(OC)c1 |r|
Show InChI InChI=1/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16?,20?,21-,22?,23+,24?,26-/s2
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n/an/a 9.29E+4n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 1.00E+5n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226179
PNG
(Kaempferol-3-O-[(S)-3-hydroxy-3-methylglutaroyl (1...)
Show SMILES CC(O)(CC(O)=O)CC(=O)OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@@H](O)C(O)[C@@H]1O |r|
Show InChI InChI=1/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20+,22?,23-,26-,27?/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226178
PNG
(Agriflavone (2))
Show SMILES COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H]1O |r|
Show InChI InChI=1/C27H28O15/c1-37-25(36)23-22(35)24(42-26-21(34)20(33)19(32)17(9-28)40-26)27(41-23)38-12-6-13(30)18-14(31)8-15(39-16(18)7-12)10-2-4-11(29)5-3-10/h2-8,17,19-24,26-30,32-35H,9H2,1H3/t17?,19-,20?,21+,22+,23+,24?,26+,27-/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226183
PNG
(Quercetin 3'-O-β-D-glucoside (12))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM153265
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a 1.00E+5n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50378582
PNG
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 1.00E+5n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50378582
PNG
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 1.00E+5n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226186
PNG
(Luteolin 7-O-β-D-glucuronide butyl ester (16))
Show SMILES O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1/C25H26O13/c26-13-4-3-11(7-14(13)27)17-10-16(29)19-15(28)8-12(9-18(19)37-17)35-5-1-2-6-36-25(34)23-21(31)20(30)22(32)24(33)38-23/h3-4,7-10,20-24,26-28,30-33H,1-2,5-6H2/t20-,21-,22+,23-,24+/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM226179
PNG
(Kaempferol-3-O-[(S)-3-hydroxy-3-methylglutaroyl (1...)
Show SMILES CC(O)(CC(O)=O)CC(=O)OC[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@@H](O)C(O)[C@@H]1O |r|
Show InChI InChI=1/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20+,22?,23-,26-,27?/s2
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n/an/a 1.00E+5n/an/an/an/a8.025



Catholic University of Daegu



Assay Description
Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226180
PNG
(Kaempferol 7-O-β-D-glucoside (4))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/s2
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n/an/a 1.00E+5n/an/an/an/a6.0n/a



Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226188
PNG
(dihydrodehydrodiconifeyl alcohol 9'-O-β-D...)
Show SMILES COc1cc(CCCO)cc2C(CO)C(Oc12)c1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)c(OC)c1 |r|
Show InChI InChI=1/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16?,20?,21-,22?,23+,24?,26-/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM226187
PNG
(Luteolin 3'-O-β-D-glucoside (17))
Show SMILES OC[C@H]1O[C@@H](Oc2cc(ccc2O)-c2cc(=O)c3c(O)cc(O)cc3o2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/s2
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Catholic University of Daegu



Assay Description
PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair