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Compile Data Set for Download or QSAR

Found 21 hits of ic50 for monomerid = 318868   
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))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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TBA

Assay Description
JAK3: The 2×JAK3/Tyr 06 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL Kinase Reaction consis...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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TBA

Assay Description
EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
EGFR (T790M)(L858R):The 2×EGFR (ErbB1) T790M L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
BTK: The 2×BTK/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL Kinase Reaction consists...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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TBA

Assay Description
FGFR1: The 2×FGFR1/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 μ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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TBA

Assay Description
FGFR2: The 2×FGFR2/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 μ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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TBA

Assay Description
KDR: The 2×KDR (VEGFR2)/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL Kinase Reaction...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM318868
PNG
(N-(3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)q...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H28N6O/c1-3-26(35)30-23-8-4-6-20(18-23)25-9-5-7-21-19-29-28(32-27(21)25)31-22-10-12-24(13-11-22)34-16-14-33(2)15-17-34/h3-13,18-19H,1,14-17H2,2H3,(H,30,35)(H,29,31,32)
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NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair