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Patent code US11040984

Compile Data Set for Download or QSAR
Found 22 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
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504402
PNG
(US11040984, Compound 2)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H23ClFN5O3/c1-29-7-5-23(6-8-29)12-30(22(31)33-23)19-10-15-18(11-20(19)32-2)26-13-27-21(15)28-14-3-4-17(25)16(24)9-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,27,28)
PDB

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UniChem
US Patent
n/an/a 16.5n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504415
PNG
(US11040984, Compound 30)
Show SMILES CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-7-29-10-23(11-29)12-30(22(31)33-23)18-8-14-17(9-19(18)32-2)26-13-27-21(14)28-16-6-4-5-15(24)20(16)25/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,26,27,28)
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US Patent
n/an/a 0.0520n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504415
PNG
(US11040984, Compound 30)
Show SMILES CCCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-7-29-10-23(11-29)12-30(22(31)33-23)18-8-14-17(9-19(18)32-2)26-13-27-21(14)28-16-6-4-5-15(24)20(16)25/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,26,27,28)
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n/an/a 0.0210n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504411
PNG
(US11040984, Compound 13)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CN(C)C2)OC1=O
Show InChI InChI=1S/C21H19ClFN5O3/c1-27-8-21(9-27)10-28(20(29)31-21)16-6-12-15(7-17(16)30-2)24-11-25-19(12)26-14-5-3-4-13(22)18(14)23/h3-7,11H,8-10H2,1-2H3,(H,24,25,26)
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n/an/a 0.0520n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504416
PNG
(US11040984, Compound 33)
Show SMILES CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C22H21ClFN5O2/c1-13(2)28-9-22(10-28)11-29(21(30)31-22)14-6-7-17-15(8-14)20(26-12-25-17)27-18-5-3-4-16(23)19(18)24/h3-8,12-13H,9-11H2,1-2H3,(H,25,26,27)
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n/an/a 0.114n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504405
PNG
(US11040984, Compound 4)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3OC)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C24H26ClN5O4/c1-29-9-7-24(8-10-29)13-30(23(31)34-24)19-11-15-18(12-20(19)32-2)26-14-27-22(15)28-17-6-4-5-16(25)21(17)33-3/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,27,28)
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US Patent
n/an/a 55.4n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504412
PNG
(US11040984, Compound 18)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O
Show InChI InChI=1S/C21H21ClFN5O3/c1-27(2)9-12-10-28(21(29)31-12)17-7-13-16(8-18(17)30-3)24-11-25-20(13)26-15-6-4-5-14(22)19(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26)/t12-/m0/s1
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n/an/a<0.0150n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504413
PNG
(US11040984, Compound 23)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C20H18ClFN4O4/c1-28-9-11-8-26(20(27)30-11)16-6-12-15(7-17(16)29-2)23-10-24-19(12)25-14-5-3-4-13(21)18(14)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,25)/t11-/m0/s1
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n/an/a 0.0380n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504410
PNG
(US11040984, Compound 12)
Show SMILES CN1CCC2(CN(C(=O)O2)c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)CC1
Show InChI InChI=1S/C22H21ClFN5O2/c1-28-9-7-22(8-10-28)12-29(21(30)31-22)14-5-6-17-15(11-14)20(26-13-25-17)27-18-4-2-3-16(23)19(18)24/h2-6,11,13H,7-10,12H2,1H3,(H,25,26,27)
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n/an/a 0.0170n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504412
PNG
(US11040984, Compound 18)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1C[C@H](CN(C)C)OC1=O
Show InChI InChI=1S/C21H21ClFN5O3/c1-27(2)9-12-10-28(21(29)31-12)17-7-13-16(8-18(17)30-3)24-11-25-20(13)26-15-6-4-5-14(22)19(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26)/t12-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504416
PNG
(US11040984, Compound 33)
Show SMILES CC(C)N1CC2(C1)CN(C(=O)O2)c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C22H21ClFN5O2/c1-13(2)28-9-22(10-28)11-29(21(30)31-22)14-6-7-17-15(8-14)20(26-12-25-17)27-18-5-3-4-16(23)19(18)24/h3-8,12-13H,9-11H2,1-2H3,(H,25,26,27)
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US Patent
n/an/a 0.290n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))
BDBM504403
PNG
(US11040984, Compound 3)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H23ClFN5O3/c1-29-8-6-23(7-9-29)12-30(22(31)33-23)18-10-14-17(11-19(18)32-2)26-13-27-21(14)28-16-5-3-4-15(24)20(16)25/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,26,27,28)
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))
BDBM504405
PNG
(US11040984, Compound 4)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3OC)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C24H26ClN5O4/c1-29-9-7-24(8-10-29)13-30(23(31)34-24)19-11-15-18(12-20(19)32-2)26-14-27-22(15)28-17-6-4-5-16(25)21(17)33-3/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,27,28)
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n/an/a 30.1n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504408
PNG
(US11040984, Compound 6)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29)
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n/an/a<0.0150n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504411
PNG
(US11040984, Compound 13)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CN(C)C2)OC1=O
Show InChI InChI=1S/C21H19ClFN5O3/c1-27-8-21(9-27)10-28(20(29)31-21)16-6-12-15(7-17(16)30-2)24-11-25-19(12)26-14-5-3-4-13(22)18(14)23/h3-7,11H,8-10H2,1-2H3,(H,24,25,26)
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n/an/a 0.0160n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504414
PNG
(US11040984, Compound 25)
Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)
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n/an/a 0.0220n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504414
PNG
(US11040984, Compound 25)
Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)
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n/an/a 0.0690n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))
BDBM504402
PNG
(US11040984, Compound 2)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H23ClFN5O3/c1-29-7-5-23(6-8-29)12-30(22(31)33-23)19-10-15-18(11-20(19)32-2)26-13-27-21(15)28-14-3-4-17(25)16(24)9-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,27,28)
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n/an/a 48.1n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504408
PNG
(US11040984, Compound 6)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29)
PDB

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n/an/a 0.0700n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504410
PNG
(US11040984, Compound 12)
Show SMILES CN1CCC2(CN(C(=O)O2)c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)CC1
Show InChI InChI=1S/C22H21ClFN5O2/c1-28-9-7-22(8-10-28)12-29(21(30)31-22)14-5-6-17-15(11-14)20(26-13-25-17)27-18-4-2-3-16(23)19(18)24/h2-6,11,13H,7-10,12H2,1H3,(H,25,26,27)
PDB

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US Patent
n/an/a 0.0850n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504413
PNG
(US11040984, Compound 23)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C20H18ClFN4O4/c1-28-9-11-8-26(20(27)30-11)16-6-12-15(7-17(16)29-2)23-10-24-19(12)25-14-5-3-4-13(21)18(14)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,25)/t11-/m0/s1
PDB

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US Patent
n/an/a 0.170n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair
EGFR (del 746-750)


(Homo sapiens (Human))
BDBM504403
PNG
(US11040984, Compound 3)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O
Show InChI InChI=1S/C23H23ClFN5O3/c1-29-8-6-23(7-9-29)12-30(22(31)33-23)18-10-14-17(11-19(18)32-2)26-13-27-21(14)28-16-5-3-4-15(24)20(16)25/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,26,27,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0200n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

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