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PubMed code 18324926

Compile data set for download or QSAR
Found 6 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))		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))		BDBM81727
PNG
(Bis-quinazolinotriazene, 5b)
Show SMILES CN(CCN(CCN(C)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1)CCN1CCOCC1)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C40H44Br2N14O/c1-53(51-49-33-9-11-37-35(25-33)39(45-27-43-37)47-31-7-3-5-29(41)23-31)13-15-55(17-18-56-19-21-57-22-20-56)16-14-54(2)52-50-34-10-12-38-36(26-34)40(46-28-44-38)48-32-8-4-6-30(42)24-32/h3-12,23-28H,13-22H2,1-2H3,(H,43,45,47)(H,44,46,48)/b51-49+,52-50+
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n/an/a 120n/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))		BDBM81728
PNG
(Bis-quinazolinotriazene, 5c)
Show SMILES CN(CCN(CCN(C)\N=N\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)CCN1CCOCC1)\N=N\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C40H44Cl2N14O/c1-53(51-49-33-9-11-37-35(25-33)39(45-27-43-37)47-31-7-3-5-29(41)23-31)13-15-55(17-18-56-19-21-57-22-20-56)16-14-54(2)52-50-34-10-12-38-36(26-34)40(46-28-44-38)48-32-8-4-6-30(42)24-32/h3-12,23-28H,13-22H2,1-2H3,(H,43,45,47)(H,44,46,48)/b51-49+,52-50+
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n/an/a 150n/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))		BDBM50133382
PNG
(Anilinoquinazoline, 4c | CHEMBL343352 | N*4*-(3-Ch...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H11ClN4/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 200n/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))		BDBM81726
PNG
(Bis-quinazolinotriazene, 5a)
Show SMILES CN(CCN(CCN(C)\N=N\c1ccc2ncnc(Nc3cccc(C)c3)c2c1)CCN1CCOCC1)\N=N\c1ccc2ncnc(Nc3cccc(C)c3)c2c1
Show InChI InChI=1S/C42H50N14O/c1-31-7-5-9-33(25-31)47-41-37-27-35(11-13-39(37)43-29-45-41)49-51-53(3)15-17-55(19-20-56-21-23-57-24-22-56)18-16-54(4)52-50-36-12-14-40-38(28-36)42(46-30-44-40)48-34-10-6-8-32(2)26-34/h5-14,25-30H,15-24H2,1-4H3,(H,43,45,47)(H,44,46,48)/b51-49+,52-50+
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n/an/a 950n/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))		BDBM50133384
PNG
(Anilinoquinazoline, 4a | CHEMBL336113 | N*4*-m-Tol...)
Show SMILES Cc1cccc(Nc2ncnc3ccc(N)cc23)c1
Show InChI InChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
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PubMed
n/an/a 1.00E+3n/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
* indicates data uncertainty>20%