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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'la monica' and Initial = 's'   
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 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307941
PNG
(CHEMBL592617 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CC#N)cc23)c1
Show InChI InChI=1S/C17H12BrN5O/c18-11-2-1-3-12(8-11)23-17-14-9-13(22-16(24)6-7-19)4-5-15(14)20-10-21-17/h1-5,8-10H,6H2,(H,22,24)(H,20,21,23)
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n/an/a 0.170n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
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 0.320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307940
PNG
(CHEMBL603266 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sccc4=O)cc23)c1
Show InChI InChI=1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-28-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)
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n/an/a 0.360n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307939
PNG
(CHEMBL599863 | N-[2-[(4-(3-Bromoanilino)quinazolin...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CNC(=O)Oc4ccccc4)cc23)c1
Show InChI InChI=1S/C23H18BrN5O3/c24-15-5-4-6-16(11-15)29-22-19-12-17(9-10-20(19)26-14-27-22)28-21(30)13-25-23(31)32-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,25,31)(H,28,30)(H,26,27,29)
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n/an/a 0.370n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
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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n/an/a 0.620n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307936
PNG
(CHEMBL599047 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sc5ccccc5c4=O)cc23)c1
Show InChI InChI=1S/C23H16BrN5O2S/c24-14-4-3-5-15(10-14)28-22-18-11-16(8-9-19(18)25-13-26-22)27-21(30)12-29-23(31)17-6-1-2-7-20(17)32-29/h1-11,13H,12H2,(H,27,30)(H,25,26,28)
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n/an/a 0.850n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 1.24n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 1.69n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
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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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574076
PNG
(CHEMBL4855850)
Show SMILES FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc([nH]n3)C3CC3)cc(n2)C(=O)NCC#C)cc1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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n/an/a 8.43n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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n/an/a 9.25n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50185140
PNG
(AP-26113 | Brigatinib | US11248003, Example Brigat...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50185140
PNG
(AP-26113 | Brigatinib | US11248003, Example Brigat...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
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PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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n/an/a 23.6n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3294
PNG
(4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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n/an/a 76n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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n/an/a 78n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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n/an/a 84n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307931
PNG
(CHEMBL606403 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES CC(C)c1nsc(n1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H17BrN6OS/c1-11(2)17-26-20(29-27-17)19(28)25-14-6-7-16-15(9-14)18(23-10-22-16)24-13-5-3-4-12(21)8-13/h3-11H,1-2H3,(H,25,28)(H,22,23,24)
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n/an/a 129n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 152n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574082
PNG
(CHEMBL4866162)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(NCc3ccc(cc3)S(F)(=O)=O)cc2)n1)N1CCN(CC1)C(C)=O
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574076
PNG
(CHEMBL4855850)
Show SMILES FS(=O)(=O)c1ccc(CN2CCN(CC2)c2nc(Nc3cc([nH]n3)C3CC3)cc(n2)C(=O)NCC#C)cc1
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n/an/a 244n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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n/an/a 291n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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n/an/a 292n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
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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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR del19/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029668
PNG
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
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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n/an/a 430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574080
PNG
(CHEMBL4873392)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NCCS(F)(=O)=O)c2)n1)N1CCN(CC1)C(C)=O
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n/an/a 458n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574081
PNG
(CHEMBL4873600)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)c3cccc(c3)S(F)(=O)=O)c2)n1)N1CCN(CC1)C(C)=O
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n/an/a 476n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574078
PNG
(CHEMBL4854693)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NS(=O)(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O
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n/an/a 675n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574077
PNG
(CHEMBL4865792)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)CCl)c2)n1)N1CCN(CC1)C(C)=O
PDB
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KEGG

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UniChem
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PubMed
n/an/a 946n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574083
PNG
(CHEMBL4856343)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(NC(C)=O)c2)n1)N1CCN(CC1)C(C)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50574079
PNG
(CHEMBL4846276)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccc(c2)C(=O)Oc2ccc(F)cc2)n1)N1CCN(CC1)C(C)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113786
BindingDB Entry DOI: 10.7270/Q2SQ946R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3294
PNG
(4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair