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PubMed code 26188620

Compile data set for download or QSAR
Found 41 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))
BDBM50116306
PNG
(CHEMBL3612587)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4cc(ccc4O)C(=O)OCC)ncnc3cc2oc1=O
Show InChI InChI=1S/C24H24N4O7/c1-3-33-21(30)6-5-9-28-18-11-15-16(12-20(18)35-24(28)32)25-13-26-22(15)27-17-10-14(7-8-19(17)29)23(31)34-4-2/h7-8,10-13,29H,3-6,9H2,1-2H3,(H,25,26,27)
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n/an/a 7.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116327
PNG
(CHEMBL3612595)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4cccc(O)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H20N4O5/c1-2-29-19(27)7-4-8-25-17-10-15-16(11-18(17)30-21(25)28)22-12-23-20(15)24-13-5-3-6-14(26)9-13/h3,5-6,9-12,26H,2,4,7-8H2,1H3,(H,22,23,24)
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n/an/a 8.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116325
PNG
(CHEMBL3612594)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(O)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H20N4O5/c1-2-29-19(27)4-3-9-25-17-10-15-16(11-18(17)30-21(25)28)22-12-23-20(15)24-13-5-7-14(26)8-6-13/h5-8,10-12,26H,2-4,9H2,1H3,(H,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116335
PNG
(CHEMBL3612563)
Show SMILES COCCn1c2cc3c(Nc4ccc(F)c(F)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C18H14F2N4O3/c1-26-5-4-24-15-7-11-14(8-16(15)27-18(24)25)21-9-22-17(11)23-10-2-3-12(19)13(20)6-10/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
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 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116312
PNG
(CHEMBL3612593)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5ccc(Cl)cc5)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C28H24Cl2N4O5/c1-2-37-26(35)4-3-11-34-23-13-20-22(14-25(23)39-28(34)36)31-16-32-27(20)33-19-9-10-24(21(30)12-19)38-15-17-5-7-18(29)8-6-17/h5-10,12-14,16H,2-4,11,15H2,1H3,(H,31,32,33)
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n/an/a 53n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116309
PNG
(CHEMBL3612590)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C22H20N6O4/c1-2-31-20(29)4-3-7-28-18-9-15-17(10-19(18)32-22(28)30)23-12-24-21(15)26-14-5-6-16-13(8-14)11-25-27-16/h5-6,8-12H,2-4,7H2,1H3,(H,25,27)(H,23,24,26)
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n/an/a 130n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116311
PNG
(CHEMBL3612592)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(F)c(F)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H18F2N4O4/c1-2-30-19(28)4-3-7-27-17-9-13-16(10-18(17)31-21(27)29)24-11-25-20(13)26-12-5-6-14(22)15(23)8-12/h5-6,8-11H,2-4,7H2,1H3,(H,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116328
PNG
(CHEMBL3612596)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OC(C)C)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C24H26N4O5/c1-4-31-22(29)6-5-11-28-20-12-18-19(13-21(20)33-24(28)30)25-14-26-23(18)27-16-7-9-17(10-8-16)32-15(2)3/h7-10,12-15H,4-6,11H2,1-3H3,(H,25,26,27)
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n/an/a 160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116334
PNG
(CHEMBL3612562)
Show SMILES COCCn1c2cc3c(Nc4cccc(c4)C#C)ncnc3cc2oc1=O
Show InChI InChI=1S/C20H16N4O3/c1-3-13-5-4-6-14(9-13)23-19-15-10-17-18(11-16(15)21-12-22-19)27-20(25)24(17)7-8-26-2/h1,4-6,9-12H,7-8H2,2H3,(H,21,22,23)
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n/an/a 190n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116339
PNG
(CHEMBL3612567)
Show SMILES COCCn1c2cc3c(Nc4ccc(OCc5nccc(OCC(F)(F)F)c5C)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C27H24F3N5O5/c1-16-21(31-8-7-23(16)39-14-27(28,29)30)13-38-18-5-3-17(4-6-18)34-25-19-11-22-24(12-20(19)32-15-33-25)40-26(36)35(22)9-10-37-2/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,32,33,34)
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n/an/a 340n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116345
PNG
(CHEMBL3612573)
Show SMILES CCOC(=O)c1ccc(O)c(Nc2ncnc3cc4oc(=O)n(CCOC)c4cc23)c1
Show InChI InChI=1S/C21H20N4O6/c1-3-30-20(27)12-4-5-17(26)15(8-12)24-19-13-9-16-18(10-14(13)22-11-23-19)31-21(28)25(16)6-7-29-2/h4-5,8-11,26H,3,6-7H2,1-2H3,(H,22,23,24)
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n/an/a 440n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116333
PNG
(CHEMBL3612561)
Show SMILES COCCn1c2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C18H14ClFN4O3/c1-26-5-4-24-15-7-11-14(8-16(15)27-18(24)25)21-9-22-17(11)23-10-2-3-13(20)12(19)6-10/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
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n/an/a 470n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116342
PNG
(CHEMBL3612570)
Show SMILES COCCn1c2cc3c(Nc4cccc(c4)C(C)=O)ncnc3cc2oc1=O
Show InChI InChI=1S/C20H18N4O4/c1-12(25)13-4-3-5-14(8-13)23-19-15-9-17-18(10-16(15)21-11-22-19)28-20(26)24(17)6-7-27-2/h3-5,8-11H,6-7H2,1-2H3,(H,21,22,23)
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n/an/a 560n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116331
PNG
(CHEMBL3612598)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(cc4)C(=O)OCc4ccc(Cl)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C29H25ClN4O6/c1-2-38-26(35)4-3-13-34-24-14-22-23(15-25(24)40-29(34)37)31-17-32-27(22)33-21-11-7-19(8-12-21)28(36)39-16-18-5-9-20(30)10-6-18/h5-12,14-15,17H,2-4,13,16H2,1H3,(H,31,32,33)
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n/an/a 660n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116303
PNG
(CHEMBL3612585)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5nccc(OCC(F)(F)F)c5C)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C30H28F3N5O6/c1-3-41-27(39)5-4-12-38-24-13-21-22(14-26(24)44-29(38)40)35-17-36-28(21)37-19-6-8-20(9-7-19)42-15-23-18(2)25(10-11-34-23)43-16-30(31,32)33/h6-11,13-14,17H,3-5,12,15-16H2,1-2H3,(H,35,36,37)
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n/an/a 780n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116787
PNG
(CHEMBL3612578)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(Cl)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H19ClN4O4/c1-2-29-19(27)4-3-9-26-17-10-15-16(11-18(17)30-21(26)28)23-12-24-20(15)25-14-7-5-13(22)6-8-14/h5-8,10-12H,2-4,9H2,1H3,(H,23,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116343
PNG
(CHEMBL3612571)
Show SMILES COCCn1c2cc3c(Nc4ccc(OCc5ccc(Cl)cc5)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C25H20Cl2N4O4/c1-33-9-8-31-21-11-18-20(12-23(21)35-25(31)32)28-14-29-24(18)30-17-6-7-22(19(27)10-17)34-13-15-2-4-16(26)5-3-15/h2-7,10-12,14H,8-9,13H2,1H3,(H,28,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116332
PNG
(CHEMBL3612599)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4cc(C)cc(C)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-30-21(28)6-5-7-27-19-11-17-18(12-20(19)31-23(27)29)24-13-25-22(17)26-16-9-14(2)8-15(3)10-16/h8-13H,4-7H2,1-3H3,(H,24,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116310
PNG
(CHEMBL3612591)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5ccccn5)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C27H25N5O5/c1-2-35-25(33)7-5-13-32-23-14-21-22(15-24(23)37-27(32)34)29-17-30-26(21)31-18-8-10-20(11-9-18)36-16-19-6-3-4-12-28-19/h3-4,6,8-12,14-15,17H,2,5,7,13,16H2,1H3,(H,29,30,31)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116336
PNG
(CHEMBL3612564)
Show SMILES COCCn1c2cc3c(Nc4ccc(OC)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C19H18N4O4/c1-25-8-7-23-16-9-14-15(10-17(16)27-19(23)24)20-11-21-18(14)22-12-3-5-13(26-2)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22)
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n/an/a 5.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116344
PNG
(CHEMBL3612572)
Show SMILES COCCn1c2cc3c(Nc4ccc(OC)c(OC)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C20H20N4O5/c1-26-7-6-24-15-9-13-14(10-17(15)29-20(24)25)21-11-22-19(13)23-12-4-5-16(27-2)18(8-12)28-3/h4-5,8-11H,6-7H2,1-3H3,(H,21,22,23)
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n/an/a 5.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116347
PNG
(CHEMBL3612575)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4cccc(c4)C#C)ncnc3cc2oc1=O
Show InChI InChI=1S/C23H20N4O4/c1-3-15-7-5-8-16(11-15)26-22-17-12-19-20(13-18(17)24-14-25-22)31-23(29)27(19)10-6-9-21(28)30-4-2/h1,5,7-8,11-14H,4,6,9-10H2,2H3,(H,24,25,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116789
PNG
(CHEMBL3612580)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OC)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C22H22N4O5/c1-3-30-20(27)5-4-10-26-18-11-16-17(12-19(18)31-22(26)28)23-13-24-21(16)25-14-6-8-15(29-2)9-7-14/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,24,25)
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n/an/a 7.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116346
PNG
(CHEMBL3612574)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H18ClFN4O4/c1-2-30-19(28)4-3-7-27-17-9-13-16(10-18(17)31-21(27)29)24-11-25-20(13)26-12-5-6-15(23)14(22)8-12/h5-6,8-11H,2-4,7H2,1H3,(H,24,25,26)
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n/an/a 7.80E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116348
PNG
(CHEMBL3612576)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccccc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H20N4O4/c1-2-28-19(26)9-6-10-25-17-11-15-16(12-18(17)29-21(25)27)22-13-23-20(15)24-14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116783
PNG
(CHEMBL3612583)
Show SMILES CCOC(=O)CCCn1c2cc3c(N[C@@H](C)c4ccccc4)ncnc3cc2oc1=O |r|
Show InChI InChI=1S/C23H24N4O4/c1-3-30-21(28)10-7-11-27-19-12-17-18(13-20(19)31-23(27)29)24-14-25-22(17)26-15(2)16-8-5-4-6-9-16/h4-6,8-9,12-15H,3,7,10-11H2,1-2H3,(H,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116340
PNG
(CHEMBL3612568)
Show SMILES COCCn1c2cc3c(Nc4cccc(OC(C)C)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H22N4O4/c1-13(2)28-15-6-4-5-14(9-15)24-20-16-10-18-19(11-17(16)22-12-23-20)29-21(26)25(18)7-8-27-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116330
PNG
(CHEMBL3612597)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(cc4)C(=O)OCc4ccc(cc4)C#N)ncnc3cc2oc1=O
Show InChI InChI=1S/C30H25N5O6/c1-2-39-27(36)4-3-13-35-25-14-23-24(15-26(25)41-30(35)38)32-18-33-28(23)34-22-11-9-21(10-12-22)29(37)40-17-20-7-5-19(16-31)6-8-20/h5-12,14-15,18H,2-4,13,17H2,1H3,(H,32,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116307
PNG
(CHEMBL3612588)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(C)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C22H22N4O4/c1-3-29-20(27)5-4-10-26-18-11-16-17(12-19(18)30-22(26)28)23-13-24-21(16)25-15-8-6-14(2)7-9-15/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116341
PNG
(CHEMBL3612569)
Show SMILES COCCn1c2cc3c(Nc4ccc(cc4)S(N)(=O)=O)ncnc3cc2oc1=O
Show InChI InChI=1S/C18H17N5O5S/c1-27-7-6-23-15-8-13-14(9-16(15)28-18(23)24)20-10-21-17(13)22-11-2-4-12(5-3-11)29(19,25)26/h2-5,8-10H,6-7H2,1H3,(H2,19,25,26)(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116308
PNG
(CHEMBL3612589)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCC)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C23H24N4O5/c1-3-30-16-9-7-15(8-10-16)26-22-17-12-19-20(13-18(17)24-14-25-22)32-23(29)27(19)11-5-6-21(28)31-4-2/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116338
PNG
(CHEMBL3612566)
Show SMILES COCCn1c2cc3c(Nc4ccc(Cl)cc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C18H15ClN4O3/c1-25-7-6-23-15-8-13-14(9-16(15)26-18(23)24)20-10-21-17(13)22-12-4-2-11(19)3-5-12/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116337
PNG
(CHEMBL3612565)
Show SMILES COCCn1c2cc3c(Nc4ccc(cc4)C(C)(C)C)ncnc3cc2oc1=O
Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-5-7-15(8-6-14)25-20-16-11-18-19(12-17(16)23-13-24-20)29-21(27)26(18)9-10-28-4/h5-8,11-13H,9-10H2,1-4H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116782
PNG
(CHEMBL3612577)
Show SMILES CCOC(=O)CCCn1c2cc3c(NCc4ccccc4)ncnc3cc2oc1=O
Show InChI InChI=1S/C22H22N4O4/c1-2-29-20(27)9-6-10-26-18-11-16-17(12-19(18)30-22(26)28)24-14-25-21(16)23-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14H,2,6,9-10,13H2,1H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116785
PNG
(CHEMBL3612584)
Show SMILES CCOC(=O)CCCn1c2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2oc1=O |r|
Show InChI InChI=1S/C23H24N4O4/c1-3-30-21(28)10-7-11-27-19-12-17-18(13-20(19)31-23(27)29)24-14-25-22(17)26-15(2)16-8-5-4-6-9-16/h4-6,8-9,12-15H,3,7,10-11H2,1-2H3,(H,24,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116786
PNG
(CHEMBL3612579)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5ccccc5)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C28H25ClN4O5/c1-2-36-26(34)9-6-12-33-23-14-20-22(15-25(23)38-28(33)35)30-17-31-27(20)32-19-10-11-24(21(29)13-19)37-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-15,17H,2,6,9,12,16H2,1H3,(H,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116788
PNG
(CHEMBL3612581)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OCc5ccc(OC)cc5)c(Cl)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C29H27ClN4O6/c1-3-38-27(35)5-4-12-34-24-14-21-23(15-26(24)40-29(34)36)31-17-32-28(21)33-19-8-11-25(22(30)13-19)39-16-18-6-9-20(37-2)10-7-18/h6-11,13-15,17H,3-5,12,16H2,1-2H3,(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116304
PNG
(CHEMBL3612586)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(OC)c(OC)c4)ncnc3cc2oc1=O
Show InChI InChI=1S/C23H24N4O6/c1-4-32-21(28)6-5-9-27-17-11-15-16(12-19(17)33-23(27)29)24-13-25-22(15)26-14-7-8-18(30-2)20(10-14)31-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116329
PNG
(CHEMBL3612073)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(cc4)C(C)(C)C)ncnc3cc2oc1=O
Show InChI InChI=1S/C25H28N4O4/c1-5-32-22(30)7-6-12-29-20-13-18-19(14-21(20)33-24(29)31)26-15-27-23(18)28-17-10-8-16(9-11-17)25(2,3)4/h8-11,13-15H,5-7,12H2,1-4H3,(H,26,27,28)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116784
PNG
(CHEMBL3612582)
Show SMILES CCOC(=O)CCCn1c2cc3c(Nc4ccc(cc4)S(N)(=O)=O)ncnc3cc2oc1=O
Show InChI InChI=1S/C21H21N5O6S/c1-2-31-19(27)4-3-9-26-17-10-15-16(11-18(17)32-21(26)28)23-12-24-20(15)25-13-5-7-14(8-6-13)33(22,29)30/h5-8,10-12H,2-4,9H2,1H3,(H2,22,29,30)(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA


Eur J Med Chem 101: 462-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.008
BindingDB Entry DOI: 10.7270/Q21V5GSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%