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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 3556   
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))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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Article
PubMed
n/an/a 0.00600n/an/an/an/an/an/a



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))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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Article
PubMed
n/an/a 0.00600n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 0.00603n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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PubMed
n/an/a 0.410n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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PubMed
n/an/a 3.20n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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PubMed
n/an/a 50n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 215n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the porcine kidney F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Rattus norvegicus)
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair