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Patent code US10406136

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sialidase


(Clostridium perfringens)
BDBM412955
PNG
(US10406136, Compound 8)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)c(C)c1
Show InChI InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-24-25(26(19)30)22(29)14-23(31-24)18-9-11-20(27)17(4)12-18/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
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4.00E+3n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412950
PNG
(US10406136, Compound 3)
Show SMILES COc1c(C)cc(cc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C27H32O7/c1-14(2)7-6-8-15(3)9-10-18-19(28)13-21-22(23(18)30)24(31)25(32)27(34-21)17-11-16(4)26(33-5)20(29)12-17/h7,9,11-13,25,27-30,32H,6,8,10H2,1-5H3/b15-9+/t25-,27?/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES COc1c(O)cc(cc1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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1.40E+5n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412948
PNG
(US10406136, Compound 1)
Show SMILES COc1cc(ccc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(C)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C27H32O6/c1-15(2)7-6-8-16(3)9-11-19-17(4)24-23(14-21(19)29)33-27(26(31)25(24)30)18-10-12-20(28)22(13-18)32-5/h7,9-10,12-14,26-29,31H,6,8,11H2,1-5H3/b16-9+/t26-,27?/m0/s1
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9.00E+5n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412949
PNG
(US10406136, Compound 2)
Show SMILES COc1ccc(cc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26?/m0/s1
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1.30E+6n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412954
PNG
(US10406136, Compound 7)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+
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3.70E+6n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412952
PNG
(US10406136, Compound 5)
Show SMILES COc1ccc(cc1OC)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C27H32O6/c1-16(2)7-6-8-17(3)9-11-19-20(28)14-25-26(27(19)30)21(29)15-23(33-25)18-10-12-22(31-4)24(13-18)32-5/h7,9-10,12-14,23,28,30H,6,8,11,15H2,1-5H3/b17-9+
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6.60E+6n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412951
PNG
(US10406136, Compound 4)
Show SMILES COc1cc(ccc1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
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1.38E+7n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50380197
PNG
(CHEMBL2011406 | US10406136, Compound 9)
Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+
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2.87E+7n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412955
PNG
(US10406136, Compound 8)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)c(C)c1
Show InChI InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-24-25(26(19)30)22(29)14-23(31-24)18-9-11-20(27)17(4)12-18/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
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n/an/a 1.10E+5n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES COc1c(O)cc(cc1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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n/an/a 1.90E+5n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412950
PNG
(US10406136, Compound 3)
Show SMILES COc1c(C)cc(cc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C27H32O7/c1-14(2)7-6-8-15(3)9-10-18-19(28)13-21-22(23(18)30)24(31)25(32)27(34-21)17-11-16(4)26(33-5)20(29)12-17/h7,9,11-13,25,27-30,32H,6,8,10H2,1-5H3/b15-9+/t25-,27?/m0/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412949
PNG
(US10406136, Compound 2)
Show SMILES COc1ccc(cc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(O)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26?/m0/s1
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n/an/a 1.40E+6n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412948
PNG
(US10406136, Compound 1)
Show SMILES COc1cc(ccc1O)C1Oc2cc(O)c(C\C=C(/C)CCC=C(C)C)c(C)c2C(=O)[C@@H]1O
Show InChI InChI=1S/C27H32O6/c1-15(2)7-6-8-16(3)9-11-19-17(4)24-23(14-21(19)29)33-27(26(31)25(24)30)18-10-12-20(28)22(13-18)32-5/h7,9-10,12-14,26-29,31H,6,8,11H2,1-5H3/b16-9+/t26-,27?/m0/s1
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n/an/a 1.60E+6n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412954
PNG
(US10406136, Compound 7)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+
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n/an/a 6.10E+6n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412952
PNG
(US10406136, Compound 5)
Show SMILES COc1ccc(cc1OC)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C27H32O6/c1-16(2)7-6-8-17(3)9-11-19-20(28)14-25-26(27(19)30)21(29)15-23(33-25)18-10-12-22(31-4)24(13-18)32-5/h7,9-10,12-14,23,28,30H,6,8,11,15H2,1-5H3/b17-9+
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n/an/a 1.29E+7n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM412951
PNG
(US10406136, Compound 4)
Show SMILES COc1cc(ccc1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
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n/an/a 1.43E+7n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50380197
PNG
(CHEMBL2011406 | US10406136, Compound 9)
Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)c2c(O)c(C\C=C(/C)CCC=C(C)C)c(O)cc2O1
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+
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US Patent
n/an/a 3.84E+7n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%