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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM3294'   
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))
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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PubMed
n/an/a 0.780n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
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 0.790n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
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 21n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured at 1 hr by Western blot...


Bioorg Med Chem Lett 23: 5290-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.008
BindingDB Entry DOI: 10.7270/Q24Q7XX1
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))
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 40n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorometry assay


Bioorg Med Chem 19: 5012-22 (2011)


Article DOI: 10.1016/j.bmc.2011.06.044
BindingDB Entry DOI: 10.7270/Q2125T1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Mus musculus)
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 40n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)


Article DOI: 10.1021/jm030423m
BindingDB Entry DOI: 10.7270/Q2B857H0
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 44n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of poly(L-glutamic acid-L-tyrosine) phosphorylation by EGFR tyrosine kinase of A431 carcinoma cells


Bioorg Med Chem Lett 15: 1135-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.015
BindingDB Entry DOI: 10.7270/Q21Z43XF
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 44n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor tyrosine kinase isolated from A431 (human carcinoma).


J Med Chem 46: 4313-21 (2003)


Article DOI: 10.1021/jm030142e
BindingDB Entry DOI: 10.7270/Q2ZC828J
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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PubMed
n/an/a 44n/an/an/an/an/a37



McGill University/Royal Victoria Hospital



Assay Description
EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.


Chem Biol Drug Des 71: 374-9 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00638.x
BindingDB Entry DOI: 10.7270/Q29P303S
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 44n/an/an/an/an/an/a



McGill University Health Center/ Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase


J Med Chem 49: 3544-52 (2006)


Article DOI: 10.1021/jm0600390
BindingDB Entry DOI: 10.7270/Q2F47NSV
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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PubMed
n/an/a 53n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 50 mins by HTRF assay


Eur J Med Chem 49: 271-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.021
BindingDB Entry DOI: 10.7270/Q2FB53DM
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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PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR-TK in human A431 cell lysate assessed as reduction in EGF stimulated kinase activity after 60 mins using biotinylated peptide subs...


Eur J Med Chem 117: 283-91 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.002
BindingDB Entry DOI: 10.7270/Q2V126QC
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>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
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>2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured after 8 hrs by Western ...


Bioorg Med Chem Lett 23: 5290-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.008
BindingDB Entry DOI: 10.7270/Q24Q7XX1
More data for this
Ligand-Target Pair