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PubMed code 22018877

Compile data set for download or QSAR
Found 25 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))
BDBM26105
PNG
(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 |r|
Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358062
PNG
(CHEMBL105053)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-14(15-8-4-2-5-9-15)23-19-17-12-18(16-10-6-3-7-11-16)24-20(17)22-13-21-19/h2-14H,1H3,(H2,21,22,23,24)/t14-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358055
PNG
(CHEMBL1914461)
Show SMILES Oc1ccc(cc1)-c1cc2c(NCc3ccccc3)ncnc2[nH]1
Show InChI InChI=1S/C19H16N4O/c24-15-8-6-14(7-9-15)17-10-16-18(21-12-22-19(16)23-17)20-11-13-4-2-1-3-5-13/h1-10,12,24H,11H2,(H2,20,21,22,23)
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n/an/a 3.30n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358046
PNG
(CHEMBL1914653)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358047
PNG
(CHEMBL1914654)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H17FN4O/c1-12(13-2-6-15(21)7-3-13)24-19-17-10-18(25-20(17)23-11-22-19)14-4-8-16(26)9-5-14/h2-12,26H,1H3,(H2,22,23,24,25)/t12-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358059
PNG
(CHEMBL1914665)
Show SMILES CC[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N4O/c1-2-18(14-6-4-3-5-7-14)24-20-17-12-19(25-21(17)23-13-22-20)15-8-10-16(26)11-9-15/h3-13,18,26H,2H2,1H3,(H2,22,23,24,25)/t18-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358061
PNG
(CHEMBL1914667)
Show SMILES COc1ccc(cc1)-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1 |r|
Show InChI InChI=1S/C21H20N4O/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(25-21(18)23-13-22-20)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H2,22,23,24,25)/t14-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358063
PNG
(CHEMBL1914668)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H17FN4/c1-13(14-5-3-2-4-6-14)24-19-17-11-18(25-20(17)23-12-22-19)15-7-9-16(21)10-8-15/h2-13H,1H3,(H2,22,23,24,25)/t13-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358051
PNG
(CHEMBL1914658)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccccc1F |r|
Show InChI InChI=1S/C20H17FN4O/c1-12(15-4-2-3-5-17(15)21)24-19-16-10-18(25-20(16)23-11-22-19)13-6-8-14(26)9-7-13/h2-12,26H,1H3,(H2,22,23,24,25)/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358053
PNG
(CHEMBL1914660)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H17FN4O/c1-12(14-3-2-4-15(21)9-14)24-19-17-10-18(25-20(17)23-11-22-19)13-5-7-16(26)8-6-13/h2-12,26H,1H3,(H2,22,23,24,25)/t12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358065
PNG
(CHEMBL1914670)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N5/c1-14(16-5-3-2-4-6-16)25-20-18-11-19(26-21(18)24-13-23-20)17-9-7-15(12-22)8-10-17/h2-11,13-14H,1H3,(H2,23,24,25,26)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358069
PNG
(CHEMBL1914674)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(cc1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H16FN5/c1-13(15-6-8-17(22)9-7-15)26-20-18-10-19(27-21(18)25-12-24-20)16-4-2-14(11-23)3-5-16/h2-10,12-13H,1H3,(H2,24,25,26,27)/t13-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358052
PNG
(CHEMBL1914659)
Show SMILES CC(Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccccc1C
Show InChI InChI=1S/C21H20N4O/c1-13-5-3-4-6-17(13)14(2)24-20-18-11-19(25-21(18)23-12-22-20)15-7-9-16(26)10-8-15/h3-12,14,26H,1-2H3,(H2,22,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358056
PNG
(CHEMBL1914662)
Show SMILES Oc1ccc(cc1)-c1cc2c(NCc3ccc(F)cc3)ncnc2[nH]1
Show InChI InChI=1S/C19H15FN4O/c20-14-5-1-12(2-6-14)10-21-18-16-9-17(24-19(16)23-11-22-18)13-3-7-15(25)8-4-13/h1-9,11,25H,10H2,(H2,21,22,23,24)
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n/an/a 26n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358067
PNG
(CHEMBL1914672)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H16F2N4/c1-12(13-2-6-15(21)7-3-13)25-19-17-10-18(26-20(17)24-11-23-19)14-4-8-16(22)9-5-14/h2-12H,1H3,(H2,23,24,25,26)/t12-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358068
PNG
(CHEMBL1914673)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(Br)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H16BrFN4/c1-12(13-4-8-16(22)9-5-13)25-19-17-10-18(26-20(17)24-11-23-19)14-2-6-15(21)7-3-14/h2-12H,1H3,(H2,23,24,25,26)/t12-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358066
PNG
(CHEMBL1914671)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H17FN4/c1-13(14-7-9-16(21)10-8-14)24-19-17-11-18(15-5-3-2-4-6-15)25-20(17)23-12-22-19/h2-13H,1H3,(H2,22,23,24,25)/t13-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358057
PNG
(CHEMBL1914663)
Show SMILES Oc1ccc(cc1)-c1cc2c(NCc3ccccc3F)ncnc2[nH]1
Show InChI InChI=1S/C19H15FN4O/c20-16-4-2-1-3-13(16)10-21-18-15-9-17(24-19(15)23-11-22-18)12-5-7-14(25)8-6-12/h1-9,11,25H,10H2,(H2,21,22,23,24)
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n/an/a 45n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358058
PNG
(CHEMBL1914664)
Show SMILES Oc1ccc(cc1)-c1cc2c(NCc3cccc(F)c3)ncnc2[nH]1
Show InChI InChI=1S/C19H15FN4O/c20-14-3-1-2-12(8-14)10-21-18-16-9-17(24-19(16)23-11-22-18)13-4-6-15(25)7-5-13/h1-9,11,25H,10H2,(H2,21,22,23,24)
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n/an/a 52n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358048
PNG
(CHEMBL1914655)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C20H17BrN4O/c1-12(13-2-6-15(21)7-3-13)24-19-17-10-18(25-20(17)23-11-22-19)14-4-8-16(26)9-5-14/h2-12,26H,1H3,(H2,22,23,24,25)/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358064
PNG
(CHEMBL1914669)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H17BrN4/c1-13(14-5-3-2-4-6-14)24-19-17-11-18(25-20(17)23-12-22-19)15-7-9-16(21)10-8-15/h2-13H,1H3,(H2,22,23,24,25)/t13-/m1/s1
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PubMed
n/an/a 63n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358054
PNG
(CHEMBL1914661)
Show SMILES CC(Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1cccc(C)c1
Show InChI InChI=1S/C21H20N4O/c1-13-4-3-5-16(10-13)14(2)24-20-18-11-19(25-21(18)23-12-22-20)15-6-8-17(26)9-7-15/h3-12,14,26H,1-2H3,(H2,22,23,24,25)
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n/an/a 95n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358049
PNG
(CHEMBL1914656)
Show SMILES C[C@@H](Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H20N4O/c1-13-3-5-15(6-4-13)14(2)24-20-18-11-19(25-21(18)23-12-22-20)16-7-9-17(26)10-8-16/h3-12,14,26H,1-2H3,(H2,22,23,24,25)/t14-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358060
PNG
(CHEMBL1914666)
Show SMILES CC(Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-15(19-8-4-6-16-5-2-3-7-20(16)19)27-23-21-13-22(28-24(21)26-14-25-23)17-9-11-18(29)12-10-17/h2-15,29H,1H3,(H2,25,26,27,28)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50358050
PNG
(CHEMBL1914657)
Show SMILES CC(Nc1ncnc2[nH]c(cc12)-c1ccc(O)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O/c1-12(13-2-6-15(7-3-13)21(22,23)24)27-19-17-10-18(28-20(17)26-11-25-19)14-4-8-16(29)9-5-14/h2-12,29H,1H3,(H2,25,26,27,28)
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Article
PubMed
n/an/a 4.61E+3n/an/an/an/an/an/a



Norwegian University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR by Z-LYTE assay


Eur J Med Chem 46: 6002-14 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.012
BindingDB Entry DOI: 10.7270/Q26M377V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%