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Patent code US9073833

Compile Data Set for Download or QSAR
Found 17 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
Neutrophil elastase


(Homo sapiens (Human))
BDBM166433
PNG
(US9073833, 1)
Show SMILES C\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13+
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US Patent
n/an/a 30n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166439
PNG
(US9073833, Sivelestat)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=NCC(O)=O |w:25.27|
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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US Patent
n/an/a 50n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166436
PNG
(US9073833, 4)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+
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n/an/a 80n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166434
PNG
(US9073833, 2)
Show SMILES CC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-5-17(21-24)16-8-6-7-9-18(16)22-28(25,26)15-12-10-14(11-13-15)27-19(23)20(2,3)4/h6-13,22,24H,5H2,1-4H3/b21-17+
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n/an/a 110n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166435
PNG
(US9073833, 3)
Show SMILES CCC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H26N2O5S/c1-5-8-18(22-25)17-9-6-7-10-19(17)23-29(26,27)16-13-11-15(12-14-16)28-20(24)21(2,3)4/h6-7,9-14,23,25H,5,8H2,1-4H3/b22-18+
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n/an/a 130n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166437
PNG
(US9073833, 5)
Show SMILES CO\N=C(/C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14+
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n/an/a 170n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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n/an/a 180n/an/an/an/an/a37



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166433
PNG
(US9073833, 1)
Show SMILES C\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13+
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n/an/a 5.13E+4n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166439
PNG
(US9073833, Sivelestat)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=NCC(O)=O |w:25.27|
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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US Patent
n/an/a 6.50E+4n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166440
PNG
(US9073833, 7)
Show SMILES C\C(=N/OCCCO)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H28N2O6S/c1-16(23-29-15-7-14-25)19-8-5-6-9-20(19)24-31(27,28)18-12-10-17(11-13-18)30-21(26)22(2,3)4/h5-6,8-13,24-25H,7,14-15H2,1-4H3/b23-16+
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n/an/a 1.59E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166433
PNG
(US9073833, 1)
Show SMILES C\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13+
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n/an/a 2.22E+5n/an/an/an/a7.5n/a



Chang Gung University

US Patent


Assay Description
Compound (1) was mixed with 50 uL of buffer C [containing 100 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES, pH 7.5), 500 mM NaCl, 10%...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166437
PNG
(US9073833, 5)
Show SMILES CO\N=C(/C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14+
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n/an/a 3.24E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166439
PNG
(US9073833, Sivelestat)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=NCC(O)=O |w:25.27|
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/a 3.38E+5n/an/an/an/a7.5n/a



Chang Gung University

US Patent


Assay Description
Compound (1) was mixed with 50 uL of buffer C [containing 100 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES, pH 7.5), 500 mM NaCl, 10%...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166438
PNG
(US9073833, 6)
Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-
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n/an/a 3.67E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166435
PNG
(US9073833, 3)
Show SMILES CCC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C21H26N2O5S/c1-5-8-18(22-25)17-9-6-7-10-19(17)23-29(26,27)16-13-11-15(12-14-16)28-20(24)21(2,3)4/h6-7,9-14,23,25H,5,8H2,1-4H3/b22-18+
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n/an/a 3.68E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166436
PNG
(US9073833, 4)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\O
Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+
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n/an/a 3.94E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM166434
PNG
(US9073833, 2)
Show SMILES CC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H24N2O5S/c1-5-17(21-24)16-8-6-7-9-18(16)22-28(25,26)15-12-10-14(11-13-15)27-19(23)20(2,3)4/h6-13,22,24H,5H2,1-4H3/b21-17+
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n/an/a 6.79E+5n/an/an/an/a7.4n/a



Chang Gung University

US Patent


Assay Description
Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...


US Patent US9073833 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PQJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%