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Patent code US9725439

Compile Data Set for Download or QSAR
Found 29 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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM330411
PNG
( N4-(3-acetylphenyl)-N6-(1-acryloylazetidin-3-yl)-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(C)=O)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H23N5O3/c1-4-22(30)28-11-17(12-28)26-20-9-18-19(10-21(20)31-3)24-13-25-23(18)27-16-7-5-6-15(8-16)14(2)29/h4-10,13,17,26H,1,11-12H2,2-3H3,(H,24,25,27)
PDB
MMDB

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US Patent
n/an/a 0.100n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330401
PNG
((S)—N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CN(C4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H23ClFN5O3/c1-2-23(32)31-10-15(11-31)29-21-8-17-20(9-22(21)34-16-5-6-33-12-16)27-13-28-24(17)30-14-3-4-19(26)18(25)7-14/h2-4,7-9,13,15-16,29H,1,5-6,10-12H2,(H,27,28,30)/t16-/m0/s1
PDB
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UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330415
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-24(33)32-8-6-16(7-9-32)30-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)31-17-4-5-20(27)19(26)12-17/h3-5,12-16,30H,1,6-11H2,2H3,(H,28,29,31)
PDB
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PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330400
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C23H23ClFN5O2/c1-3-22(31)30-8-6-14(7-9-30)28-20-11-16-19(12-21(20)32-2)26-13-27-23(16)29-15-4-5-18(25)17(24)10-15/h3-5,10-14,28H,1,6-9H2,2H3,(H,26,27,29)
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UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330399
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19ClFN5O2/c1-3-20(29)28-9-13(10-28)26-18-7-14-17(8-19(18)30-2)24-11-25-21(14)27-12-4-5-16(23)15(22)6-12/h3-8,11,13,26H,1,9-10H2,2H3,(H,24,25,27)
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n/an/a 0.300n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330413
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-bromophenyl)-7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C23H24BrN5O2/c1-3-22(30)29-9-7-16(8-10-29)27-20-12-18-19(13-21(20)31-2)25-14-26-23(18)28-17-6-4-5-15(24)11-17/h3-6,11-14,16,27H,1,7-10H2,2H3,(H,25,26,28)
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n/an/a 0.300n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330402
PNG
((S)—N6-(1-acryloylpiperidin-4-yl)-N4-(3-chlor...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CCN(CC4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C26H27ClFN5O3/c1-2-25(34)33-8-5-16(6-9-33)31-23-12-19-22(13-24(23)36-18-7-10-35-14-18)29-15-30-26(19)32-17-3-4-21(28)20(27)11-17/h2-4,11-13,15-16,18,31H,1,5-10,14H2,(H,29,30,32)/t18-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330417
PNG
(6-(1-acryloylazetidin-3-yl)thio-N-(3-chloro-4-fluo...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H18ClFN4O2S/c1-3-20(28)27-9-13(10-27)30-19-7-14-17(8-18(19)29-2)24-11-25-21(14)26-12-4-5-16(23)15(22)6-12/h3-8,11,13H,1,9-10H2,2H3,(H,24,25,26)
PDB
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UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330401
PNG
((S)—N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CN(C4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H23ClFN5O3/c1-2-23(32)31-10-15(11-31)29-21-8-17-20(9-22(21)34-16-5-6-33-12-16)27-13-28-24(17)30-14-3-4-19(26)18(25)7-14/h2-4,7-9,13,15-16,29H,1,5-6,10-12H2,(H,27,28,30)/t16-/m0/s1
PDB
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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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


(Homo sapiens (human))
BDBM330406
PNG
(1-(4-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylami...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H29ClN6O3/c1-3-28(37)36-12-9-19(10-13-36)34-25-15-22-24(16-27(25)38-2)32-18-33-29(22)35-20-7-8-26(23(30)14-20)39-17-21-6-4-5-11-31-21/h3-8,11,14-16,18-19,34H,1,9-10,12-13,17H2,2H3,(H,32,33,35)
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CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330399
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19ClFN5O2/c1-3-20(29)28-9-13(10-28)26-18-7-14-17(8-19(18)30-2)24-11-25-21(14)27-12-4-5-16(23)15(22)6-12/h3-8,11,13,26H,1,9-10H2,2H3,(H,24,25,27)
PDB
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US Patent
n/an/a 0.800n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330409
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-ethynylphenyl)-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H21N5O2/c1-4-15-7-6-8-16(9-15)27-23-18-10-20(21(30-3)11-19(18)24-14-25-23)26-17-12-28(13-17)22(29)5-2/h1,5-11,14,17,26H,2,12-13H2,3H3,(H,24,25,27)
PDB
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n/an/a 1.10n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330415
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H27ClFN5O3/c1-3-24(33)32-8-6-16(7-9-32)30-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)31-17-4-5-20(27)19(26)12-17/h3-5,12-16,30H,1,6-11H2,2H3,(H,28,29,31)
PDB
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330414
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H23ClFN5O3/c1-3-22(31)30-11-15(12-30)28-20-9-16-19(10-21(20)33-7-6-32-2)26-13-27-23(16)29-14-4-5-18(25)17(24)8-14/h3-5,8-10,13,15,28H,1,6-7,11-12H2,2H3,(H,26,27,29)
PDB
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n/an/a 1.20n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330400
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C23H23ClFN5O2/c1-3-22(31)30-8-6-14(7-9-30)28-20-11-16-19(12-21(20)32-2)26-13-27-23(16)29-15-4-5-18(25)17(24)10-15/h3-5,10-14,28H,1,6-9H2,2H3,(H,26,27,29)
PDB
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CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330402
PNG
((S)—N6-(1-acryloylpiperidin-4-yl)-N4-(3-chlor...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CCN(CC4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C26H27ClFN5O3/c1-2-25(34)33-8-5-16(6-9-33)31-23-12-19-22(13-24(23)36-18-7-10-35-14-18)29-15-30-26(19)32-17-3-4-21(28)20(27)11-17/h2-4,11-13,15-16,18,31H,1,5-10,14H2,(H,29,30,32)/t18-/m0/s1
PDB
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n/an/a 2.10n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330412
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-bromophenyl)-7-...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20BrN5O2/c1-3-20(28)27-10-15(11-27)25-18-8-16-17(9-19(18)29-2)23-12-24-21(16)26-14-6-4-5-13(22)7-14/h3-9,12,15,25H,1,10-11H2,2H3,(H,23,24,26)
PDB
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PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330413
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-bromophenyl)-7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C23H24BrN5O2/c1-3-22(30)29-9-7-16(8-10-29)27-20-12-18-19(13-21(20)31-2)25-14-26-23(18)28-17-6-4-5-15(24)11-17/h3-6,11-14,16,27H,1,7-10H2,2H3,(H,25,26,28)
PDB
MMDB

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UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330406
PNG
(1-(4-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylami...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C29H29ClN6O3/c1-3-28(37)36-12-9-19(10-13-36)34-25-15-22-24(16-27(25)38-2)32-18-33-29(22)35-20-7-8-26(23(30)14-20)39-17-21-6-4-5-11-31-21/h3-8,11,14-16,18-19,34H,1,9-10,12-13,17H2,2H3,(H,32,33,35)
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n/an/a 3.70n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330411
PNG
( N4-(3-acetylphenyl)-N6-(1-acryloylazetidin-3-yl)-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(C)=O)c2cc1NC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C23H23N5O3/c1-4-22(30)28-11-17(12-28)26-20-9-18-19(10-21(20)31-3)24-13-25-23(18)27-16-7-5-6-15(8-16)14(2)29/h4-10,13,17,26H,1,11-12H2,2-3H3,(H,24,25,27)
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n/an/a 5.30n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330408
PNG
(N6-(1-acryloylpiperidin-4-yl)-N4-(3-ethynylphenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H25N5O2/c1-4-17-7-6-8-19(13-17)29-25-20-14-22(23(32-3)15-21(20)26-16-27-25)28-18-9-11-30(12-10-18)24(31)5-2/h1,5-8,13-16,18,28H,2,9-12H2,3H3,(H,26,27,29)
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n/an/a 8.60n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330416
PNG
(N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro-4-fluoro...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(NC4CN(C4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C26H28ClFN6O3/c1-2-25(35)34-14-18(15-34)31-23-12-19-22(13-24(23)37-10-7-33-5-8-36-9-6-33)29-16-30-26(19)32-17-3-4-21(28)20(27)11-17/h2-4,11-13,16,18,31H,1,5-10,14-15H2,(H,29,30,32)
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n/an/a 11.1n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330417
PNG
(6-(1-acryloylazetidin-3-yl)thio-N-(3-chloro-4-fluo...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SC1CN(C1)C(=O)C=C
Show InChI InChI=1S/C21H18ClFN4O2S/c1-3-20(28)27-9-13(10-27)30-19-7-14-17(8-18(19)29-2)24-11-25-21(14)26-12-4-5-16(23)15(22)6-12/h3-8,11,13H,1,9-10H2,2H3,(H,24,25,26)
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n/an/a 11.7n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330421
PNG
( N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluo...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC4CCN(CC4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C22H21ClFN5O/c1-2-21(30)29-9-7-14(8-10-29)27-15-4-6-20-17(11-15)22(26-13-25-20)28-16-3-5-19(24)18(23)12-16/h2-6,11-14,27H,1,7-10H2,(H,25,26,28)
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n/an/a 19.5n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330410
PNG
(N4-(3-acetylphenyl)-N6-(1-acryloylpiperidin-4-yl)-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(C)=O)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H27N5O3/c1-4-24(32)30-10-8-18(9-11-30)28-22-13-20-21(14-23(22)33-3)26-15-27-25(20)29-19-7-5-6-17(12-19)16(2)31/h4-7,12-15,18,28H,1,8-11H2,2-3H3,(H,26,27,29)
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n/an/a 21.2n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330405
PNG
(1-(4-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C30H29ClFN5O3/c1-3-29(38)37-11-9-21(10-12-37)35-26-15-23-25(16-28(26)39-2)33-18-34-30(23)36-22-7-8-27(24(31)14-22)40-17-19-5-4-6-20(32)13-19/h3-8,13-16,18,21,35H,1,9-12,17H2,2H3,(H,33,34,36)
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n/an/a 36.7n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330404
PNG
((S)—N6-(1-acryloylpyrrolidin-3-yl)-N4-(3-chlo...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CCN(C4)C(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C25H25ClFN5O3/c1-2-24(33)32-7-5-16(12-32)30-22-10-18-21(11-23(22)35-17-6-8-34-13-17)28-14-29-25(18)31-15-3-4-20(27)19(26)9-15/h2-4,9-11,14,16-17,30H,1,5-8,12-13H2,(H,28,29,31)/t16?,17-/m0/s1
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n/an/a 52.1n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330419
PNG
(6-(1-acryloylpiperidin-4-yl)thio-N-(3-chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SC1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C23H22ClFN4O2S/c1-3-22(30)29-8-6-15(7-9-29)32-21-11-16-19(12-20(21)31-2)26-13-27-23(16)28-14-4-5-18(25)17(24)10-14/h3-5,10-13,15H,1,6-9H2,2H3,(H,26,27,28)
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n/an/a 134n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM330418
PNG
(6-(1-acryloylpyrrolidin-3-yl)thio-N-(3-chloro-4-fl...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SC1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C22H20ClFN4O2S/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)
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n/an/a 251n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...


US Patent US9725439 (2017)

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