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Patent code US10085983

Compile Data Set for Download or QSAR
Found 38 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 (EGFR)(T790M/L858R)


(Homo sapiens (Human))
BDBM287608
PNG
(N-(2-(2-(dimethylamino)ethoxyl)-4-methoxy-5-(7-(1-...)
Show SMILES COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C24H28N8O3/c1-6-23(33)27-19-11-18(21(34-5)12-22(19)35-10-9-30(2)3)28-24-25-14-17-7-8-20(32(17)29-24)16-13-26-31(4)15-16/h6-8,11-15H,1,9-10H2,2-5H3,(H,27,33)(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor (EGFR)(T790M/L858R)


(Homo sapiens (Human))
BDBM287595
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-24(35)28-19-12-20(23(36-6)13-22(19)32(4)11-10-31(2)3)29-25-26-15-18-8-9-21(34(18)30-25)17-14-27-33(5)16-17/h7-9,12-16H,1,10-11H2,2-6H3,(H,28,35)(H,29,30)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287615
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1
Show InChI InChI=1S/C30H32N8O2/c1-6-29(39)33-24-16-25(28(40-5)17-27(24)37(4)14-13-36(2)3)34-30-32-19-22-11-12-26(38(22)35-30)21-15-20-9-7-8-10-23(20)31-18-21/h6-12,15-19H,1,13-14H2,2-5H3,(H,33,39)(H,34,35)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287617
PNG
(US10085983, Compound J-12)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccn(C)c3)n2n1
Show InChI InChI=1S/C26H32N8O2/c1-7-25(35)28-20-14-21(24(36-6)15-23(20)33(5)13-12-31(2)3)29-26-27-16-19-8-9-22(34(19)30-26)18-10-11-32(4)17-18/h7-11,14-17H,1,12-13H2,2-6H3,(H,28,35)(H,29,30)
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n/an/a 1.90n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287612
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-27(39)32-22-15-23(26(40-6)16-25(22)36(4)13-12-35(2)3)33-29-31-18-21-8-9-24(38(21)34-29)20-14-19-10-11-37(5)28(19)30-17-20/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,39)(H,33,34)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287607
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C27H33N9O2/c1-6-26(37)30-21-13-22(25(38-5)14-24(21)35-11-9-19(10-12-35)33(2)3)31-27-28-16-20-7-8-23(36(20)32-27)18-15-29-34(4)17-18/h6-8,13-17,19H,1,9-12H2,2-5H3,(H,30,37)(H,31,32)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287613
PNG
(N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1
Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-18-13-19(22(33-5)14-21(18)30(4)12-11-29(2)3)27-24-25-15-17-9-10-20(16-7-8-16)31(17)28-24/h6,9-10,13-16H,1,7-8,11-12H2,2-5H3,(H,26,32)(H,27,28)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287609
PNG
( N-(4-methoxy-5-(7-(1-methyl-1H-pyrazol-4-yl)pyrro...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C25H29N9O2/c1-5-24(35)28-19-12-20(23(36-4)13-22(19)33-10-8-31(2)9-11-33)29-25-26-15-18-6-7-21(34(18)30-25)17-14-27-32(3)16-17/h5-7,12-16H,1,8-11H2,2-4H3,(H,28,35)(H,29,30)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287616
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccccc3)n2n1
Show InChI InChI=1S/C27H31N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6-13,16-18H,1,14-15H2,2-5H3,(H,29,35)(H,30,31)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287611
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cccnc3)n2n1
Show InChI InChI=1S/C26H30N8O2/c1-6-25(35)29-20-14-21(24(36-5)15-23(20)33(4)13-12-32(2)3)30-26-28-17-19-9-10-22(34(19)31-26)18-8-7-11-27-16-18/h6-11,14-17H,1,12-13H2,2-5H3,(H,29,35)(H,30,31)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM50029668
PNG
(AZD-9291 | OSIMERTINIB | Osimertinib | US10085983,...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM287615
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1
Show InChI InChI=1S/C30H32N8O2/c1-6-29(39)33-24-16-25(28(40-5)17-27(24)37(4)14-13-36(2)3)34-30-32-19-22-11-12-26(38(22)35-30)21-15-20-9-7-8-10-23(20)31-18-21/h6-12,15-19H,1,13-14H2,2-5H3,(H,33,39)(H,34,35)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287610
PNG
(N-(5(7-cyclohexenyl-pyrrolo[1,2-f][1,2,4]triazin-2...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3=CCCCC3)n2n1
Show InChI InChI=1S/C27H35N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6,10,12-13,16-18H,1,7-9,11,14-15H2,2-5H3,(H,29,35)(H,30,31)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287595
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-24(35)28-19-12-20(23(36-6)13-22(19)32(4)11-10-31(2)3)29-25-26-15-18-8-9-21(34(18)30-25)17-14-27-33(5)16-17/h7-9,12-16H,1,10-11H2,2-6H3,(H,28,35)(H,29,30)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287618
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1
Show InChI InChI=1S/C32H34N8O2/c1-5-31(41)35-26-17-27(30(42-4)18-29(26)39-14-12-23(13-15-39)38(2)3)36-32-34-20-24-10-11-28(40(24)37-32)22-16-21-8-6-7-9-25(21)33-19-22/h5-11,16-20,23H,1,12-15H2,2-4H3,(H,35,41)(H,36,37)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287612
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4n(C)ccc4c3)n2n1
Show InChI InChI=1S/C29H33N9O2/c1-7-27(39)32-22-15-23(26(40-6)16-25(22)36(4)13-12-35(2)3)33-29-31-18-21-8-9-24(38(21)34-29)20-14-19-10-11-37(5)28(19)30-17-20/h7-11,14-18H,1,12-13H2,2-6H3,(H,32,39)(H,33,34)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287617
PNG
(US10085983, Compound J-12)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccn(C)c3)n2n1
Show InChI InChI=1S/C26H32N8O2/c1-7-25(35)28-20-14-21(24(36-6)15-23(20)33(5)13-12-31(2)3)29-26-27-16-19-8-9-22(34(19)30-26)18-10-11-32(4)17-18/h7-11,14-17H,1,12-13H2,2-6H3,(H,28,35)(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287610
PNG
(N-(5(7-cyclohexenyl-pyrrolo[1,2-f][1,2,4]triazin-2...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3=CCCCC3)n2n1
Show InChI InChI=1S/C27H35N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6,10,12-13,16-18H,1,7-9,11,14-15H2,2-5H3,(H,29,35)(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287619
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1
Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-19-13-20(27-24-25-15-18-8-7-16(2)31(18)28-24)22(33-5)14-21(19)30-11-9-17(10-12-30)29(3)4/h6-8,13-15,17H,1,9-12H2,2-5H3,(H,26,32)(H,27,28)
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n/an/a 9n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287616
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3ccccc3)n2n1
Show InChI InChI=1S/C27H31N7O2/c1-6-26(35)29-21-16-22(25(36-5)17-24(21)33(4)15-14-32(2)3)30-27-28-18-20-12-13-23(34(20)31-27)19-10-8-7-9-11-19/h6-13,16-18H,1,14-15H2,2-5H3,(H,29,35)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287608
PNG
(N-(2-(2-(dimethylamino)ethoxyl)-4-methoxy-5-(7-(1-...)
Show SMILES COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C24H28N8O3/c1-6-23(33)27-19-11-18(21(34-5)12-22(19)35-10-9-30(2)3)28-24-25-14-17-7-8-20(32(17)29-24)16-13-26-31(4)15-16/h6-8,11-15H,1,9-10H2,2-5H3,(H,27,33)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287621
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C26H33N9O2/c1-8-25(36)29-19-12-20(24(37-7)13-22(19)33(5)10-9-32(3)4)30-26-27-15-23-17(2)11-21(35(23)31-26)18-14-28-34(6)16-18/h8,11-16H,1,9-10H2,2-7H3,(H,29,36)(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287611
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cccnc3)n2n1
Show InChI InChI=1S/C26H30N8O2/c1-6-25(35)29-20-14-21(24(36-5)15-23(20)33(4)13-12-32(2)3)30-26-28-17-19-9-10-22(34(19)31-26)18-8-7-11-27-16-18/h6-11,14-17H,1,12-13H2,2-5H3,(H,29,35)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287614
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1
Show InChI InChI=1S/C22H29N7O2/c1-7-21(30)24-17-12-18(20(31-6)13-19(17)28(5)11-10-27(3)4)25-22-23-14-16-9-8-15(2)29(16)26-22/h7-9,12-14H,1,10-11H2,2-6H3,(H,24,30)(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287618
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnc4ccccc4c3)n2n1
Show InChI InChI=1S/C32H34N8O2/c1-5-31(41)35-26-17-27(30(42-4)18-29(26)39-14-12-23(13-15-39)38(2)3)36-32-34-20-24-10-11-28(40(24)37-32)22-16-21-8-6-7-9-25(21)33-19-22/h5-11,16-20,23H,1,12-15H2,2-4H3,(H,35,41)(H,36,37)
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n/an/a 21n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287607
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C27H33N9O2/c1-6-26(37)30-21-13-22(25(38-5)14-24(21)35-11-9-19(10-12-35)33(2)3)31-27-28-16-20-7-8-23(36(20)32-27)18-15-29-34(4)17-18/h6-8,13-17,19H,1,9-12H2,2-5H3,(H,30,37)(H,31,32)
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n/an/a 23n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287609
PNG
( N-(4-methoxy-5-(7-(1-methyl-1H-pyrazol-4-yl)pyrro...)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc2ccc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C25H29N9O2/c1-5-24(35)28-19-12-20(23(36-4)13-22(19)33-10-8-31(2)9-11-33)29-25-26-15-18-6-7-21(34(18)30-25)17-14-27-32(3)16-17/h5-7,12-16H,1,8-11H2,2-4H3,(H,28,35)(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287619
PNG
(N-(2-(4-(dimethylamino)piperidin-1-yl)-4-methoxy-5...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1
Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-19-13-20(27-24-25-15-18-8-7-16(2)31(18)28-24)22(33-5)14-21(19)30-11-9-17(10-12-30)29(3)4/h6-8,13-15,17H,1,9-12H2,2-5H3,(H,26,32)(H,27,28)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287614
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C)n2n1
Show InChI InChI=1S/C22H29N7O2/c1-7-21(30)24-17-12-18(20(31-6)13-19(17)28(5)11-10-27(3)4)25-22-23-14-16-9-8-15(2)29(16)26-22/h7-9,12-14H,1,10-11H2,2-6H3,(H,24,30)(H,25,26)
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n/an/a 105n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287613
PNG
(N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1
Show InChI InChI=1S/C24H31N7O2/c1-6-23(32)26-18-13-19(22(33-5)14-21(18)30(4)12-11-29(2)3)27-24-25-15-17-9-10-20(16-7-8-16)31(17)28-24/h6,9-10,13-16H,1,7-8,11-12H2,2-5H3,(H,26,32)(H,27,28)
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n/an/a 112n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287620
PNG
(N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1
Show InChI InChI=1S/C26H33N7O2/c1-5-25(34)28-20-14-21(24(35-4)15-23(20)32-12-10-18(11-13-32)31(2)3)29-26-27-16-19-8-9-22(17-6-7-17)33(19)30-26/h5,8-9,14-18H,1,6-7,10-13H2,2-4H3,(H,28,34)(H,29,30)
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n/an/a 262n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (Human))
BDBM287622
PNG
(The Preparation of N-(2-(4-(dimethylamino)piperidi...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C28H35N9O2/c1-7-27(38)31-21-13-22(26(39-6)14-24(21)36-10-8-20(9-11-36)34(3)4)32-28-29-16-25-18(2)12-23(37(25)33-28)19-15-30-35(5)17-19/h7,12-17,20H,1,8-11H2,2-6H3,(H,31,38)(H,32,33)
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n/an/a 294n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287621
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C26H33N9O2/c1-8-25(36)29-19-12-20(24(37-7)13-22(19)33(5)10-9-32(3)4)30-26-27-15-23-17(2)11-21(35(23)31-26)18-14-28-34(6)16-18/h8,11-16H,1,9-10H2,2-7H3,(H,29,36)(H,30,31)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287620
PNG
(N-(5(7-cyclopropylpyrrolo[1,2-f][1,2,4]triazin-2-y...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2ccc(C3CC3)n2n1
Show InChI InChI=1S/C26H33N7O2/c1-5-25(34)28-20-14-21(24(35-4)15-23(20)32-12-10-18(11-13-32)31(2)3)29-26-27-16-19-8-9-22(17-6-7-17)33(19)30-26/h5,8-9,14-18H,1,6-7,10-13H2,2-4H3,(H,28,34)(H,29,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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


(Homo sapiens (human))
BDBM287622
PNG
(The Preparation of N-(2-(4-(dimethylamino)piperidi...)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc2c(C)cc(-c3cnn(C)c3)n2n1
Show InChI InChI=1S/C28H35N9O2/c1-7-27(38)31-21-13-22(26(39-6)14-24(21)36-10-8-20(9-11-36)34(3)4)32-28-29-16-25-18(2)12-23(37(25)33-28)19-15-30-35(5)17-19/h7,12-17,20H,1,8-11H2,2-6H3,(H,31,38)(H,32,33)
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Shanghai Haiyan Pharmaceutical Technology Co., Ltd.; Yangtze River Pharmaceutical Group Co., Ltd.

US Patent


Assay Description
All reagents used in the following z′-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinas...


US Patent US10085983 (2018)

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