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PubMed code 26879314

Compile data set for download or QSAR
Found 26 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))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 25n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr b...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
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n/an/a 53n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154289
PNG
(CHEMBL3774947)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C23H24ClN5O3/c24-16-3-1-4-17(11-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)6-2-5-28-7-9-31-10-8-28/h1,3-4,11-13,15H,2,5-10,14H2,(H,25,26,27)
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n/an/a 63n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 68n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr b...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154288
PNG
(CHEMBL3774906)
Show SMILES Brc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C23H24BrN5O3/c24-16-3-1-4-17(11-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)6-2-5-28-7-9-31-10-8-28/h1,3-4,11-13,15H,2,5-10,14H2,(H,25,26,27)
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n/an/a 90n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154259
PNG
(CHEMBL3775112)
Show SMILES Brc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C24H26BrN5O2/c25-17-6-4-7-18(12-17)28-24-19-13-21-22(14-20(19)26-16-27-24)32-15-23(31)30(21)11-5-10-29-8-2-1-3-9-29/h4,6-7,12-14,16H,1-3,5,8-11,15H2,(H,26,27,28)
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n/an/a 99n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154260
PNG
(CHEMBL3775536)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C24H26ClN5O2/c25-17-6-4-7-18(12-17)28-24-19-13-21-22(14-20(19)26-16-27-24)32-15-23(31)30(21)11-5-10-29-8-2-1-3-9-29/h4,6-7,12-14,16H,1-3,5,8-11,15H2,(H,26,27,28)
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n/an/a 116n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154256
PNG
(CHEMBL3775046)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O2/c25-18-11-16(5-6-19(18)26)29-24-17-12-21-22(13-20(17)27-15-28-24)33-14-23(32)31(21)10-4-9-30-7-2-1-3-8-30/h5-6,11-13,15H,1-4,7-10,14H2,(H,27,28,29)
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n/an/a 138n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154255
PNG
(CHEMBL3774926 | US10106508, Compound II-1)
Show SMILES O=C1COc2cc3ncnc(Nc4cccc(c4)C#C)c3cc2N1CCCN1CCOCC1
Show InChI InChI=1S/C25H25N5O3/c1-2-18-5-3-6-19(13-18)28-25-20-14-22-23(15-21(20)26-17-27-25)33-16-24(31)30(22)8-4-7-29-9-11-32-12-10-29/h1,3,5-6,13-15,17H,4,7-12,16H2,(H,26,27,28)
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n/an/a 139n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154277
PNG
(CHEMBL3774578 | US10106508, Compound II-3)
Show SMILES Cc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C24H26ClN5O3/c1-16-3-4-17(11-19(16)25)28-24-18-12-21-22(13-20(18)26-15-27-24)33-14-23(31)30(21)6-2-5-29-7-9-32-10-8-29/h3-4,11-13,15H,2,5-10,14H2,1H3,(H,26,27,28)
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n/an/a 163n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154287
PNG
(CHEMBL3775459)
Show SMILES Cc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C24H27N5O3/c1-17-4-2-5-18(12-17)27-24-19-13-21-22(14-20(19)25-16-26-24)32-15-23(30)29(21)7-3-6-28-8-10-31-11-9-28/h2,4-5,12-14,16H,3,6-11,15H2,1H3,(H,25,26,27)
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n/an/a 187n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154257
PNG
(CHEMBL3774396)
Show SMILES O=C1COc2cc3ncnc(Nc4cccc(c4)C#C)c3cc2N1CCCN1CCCCC1
Show InChI InChI=1S/C26H27N5O2/c1-2-19-8-6-9-20(14-19)29-26-21-15-23-24(16-22(21)27-18-28-26)33-17-25(32)31(23)13-7-12-30-10-4-3-5-11-30/h1,6,8-9,14-16,18H,3-5,7,10-13,17H2,(H,27,28,29)
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n/an/a 211n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154290
PNG
(CHEMBL3775285)
Show SMILES Fc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C23H24FN5O3/c24-16-3-1-4-17(11-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)6-2-5-28-7-9-31-10-8-28/h1,3-4,11-13,15H,2,5-10,14H2,(H,25,26,27)
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n/an/a 245n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
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n/an/a 336n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr b...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154282
PNG
(CHEMBL3775911)
Show SMILES Clc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1
Show InChI InChI=1S/C23H24ClN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27)
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n/an/a 354n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154283
PNG
(CHEMBL3774471)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1
Show InChI InChI=1S/C23H24FN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27)
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n/an/a 434n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154258
PNG
(CHEMBL3775897)
Show SMILES Cc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C25H29N5O2/c1-18-7-5-8-19(13-18)28-25-20-14-22-23(15-21(20)26-17-27-25)32-16-24(31)30(22)12-6-11-29-9-3-2-4-10-29/h5,7-8,13-15,17H,2-4,6,9-12,16H2,1H3,(H,26,27,28)
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PubMed
n/an/a 456n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154261
PNG
(CHEMBL3774808)
Show SMILES Fc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C24H26FN5O2/c25-17-6-4-7-18(12-17)28-24-19-13-21-22(14-20(19)26-16-27-24)32-15-23(31)30(21)11-5-10-29-8-2-1-3-9-29/h4,6-7,12-14,16H,1-3,5,8-11,15H2,(H,26,27,28)
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n/an/a 460n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154279
PNG
(CHEMBL3775148)
Show SMILES O=C1COc2cc3ncnc(Nc4ccccc4)c3cc2N1CCCN1CCOCC1
Show InChI InChI=1S/C23H25N5O3/c29-22-15-31-21-14-19-18(23(25-16-24-19)26-17-5-2-1-3-6-17)13-20(21)28(22)8-4-7-27-9-11-30-12-10-27/h1-3,5-6,13-14,16H,4,7-12,15H2,(H,24,25,26)
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n/an/a 519n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154280
PNG
(CHEMBL3774712)
Show SMILES Cc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1
Show InChI InChI=1S/C24H27N5O3/c1-17-3-5-18(6-4-17)27-24-19-13-21-22(14-20(19)25-16-26-24)32-15-23(30)29(21)8-2-7-28-9-11-31-12-10-28/h3-6,13-14,16H,2,7-12,15H2,1H3,(H,25,26,27)
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n/an/a 595n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154281
PNG
(CHEMBL3774609)
Show SMILES Brc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1
Show InChI InChI=1S/C23H24BrN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27)
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n/an/a 824n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154285
PNG
(CHEMBL3774982)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)16-3-1-4-17(11-16)30-23-18-12-20-21(13-19(18)28-15-29-23)35-14-22(33)32(20)6-2-5-31-7-9-34-10-8-31/h1,3-4,11-13,15H,2,5-10,14H2,(H,28,29,30)
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n/an/a 829n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154255
PNG
(CHEMBL3774926 | US10106508, Compound II-1)
Show SMILES O=C1COc2cc3ncnc(Nc4cccc(c4)C#C)c3cc2N1CCCN1CCOCC1
Show InChI InChI=1S/C25H25N5O3/c1-2-18-5-3-6-19(13-18)28-25-20-14-22-23(15-21(20)26-17-27-25)33-16-24(31)30(22)8-4-7-29-9-11-32-12-10-29/h1,3,5-6,13-15,17H,4,7-12,16H2,(H,26,27,28)
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n/an/a 880n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr b...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154278
PNG
(CHEMBL3775372 | US10106508, Compound II-5)
Show SMILES COc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1OC
Show InChI InChI=1S/C25H29N5O5/c1-32-21-5-4-17(12-23(21)33-2)28-25-18-13-20-22(14-19(18)26-16-27-25)35-15-24(31)30(20)7-3-6-29-8-10-34-11-9-29/h4-5,12-14,16H,3,6-11,15H2,1-2H3,(H,26,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154286
PNG
(CHEMBL3774910 | US10106508, Compound II-4)
Show SMILES COc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1
Show InChI InChI=1S/C24H27N5O4/c1-31-18-5-2-4-17(12-18)27-24-19-13-21-22(14-20(19)25-16-26-24)33-15-23(30)29(21)7-3-6-28-8-10-32-11-9-28/h2,4-5,12-14,16H,3,6-11,15H2,1H3,(H,25,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%