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Compile Data Set for Download or QSAR

Found 1459 hits with Last Name = 'rewcastle' and Initial = 'gw'   
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))
BDBM3585
PNG
(4-[(3-Bromophenyl)amino]benzo[g]quinazoline | Benz...)
Show SMILES Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1
Show InChI InChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(H,20,21,22)
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n/an/a 0.00300n/an/an/an/a7.422



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 39: 918-28 (1996)


Article DOI: 10.1021/jm950692f
BindingDB Entry DOI: 10.7270/Q2222RZB
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 0.00600n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3604
PNG
(4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]p...)
Show SMILES CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.00600n/an/an/an/a7.422



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 39: 1823-35 (1996)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q2X928GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3604
PNG
(4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]p...)
Show SMILES CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.00600n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3604
PNG
(4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]p...)
Show SMILES CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.00600n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
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 0.00600n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3603
PNG
(4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...)
Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.00800n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3603
PNG
(4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...)
Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.00800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3603
PNG
(4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...)
Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.00800n/an/an/an/a7.422



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 39: 1823-35 (1996)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q2X928GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3570
PNG
(8-[(3-Bromophenyl)amino]-1H-imidazo[4,5-g]quinazol...)
Show SMILES Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
Show InChI InChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)
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n/an/a 0.00800n/an/an/an/a7.422



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 39: 918-28 (1996)


Article DOI: 10.1021/jm950692f
BindingDB Entry DOI: 10.7270/Q2222RZB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3572
PNG
(8-[(3-Bromophenyl)amino]-1-methyl-1H-imidazo[4,5-g...)
Show SMILES Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12
Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
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n/an/a 0.0100n/an/an/an/a7.422



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 39: 918-28 (1996)


Article DOI: 10.1021/jm950692f
BindingDB Entry DOI: 10.7270/Q2222RZB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3574
PNG
(8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g...)
Show SMILES Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
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n/an/a 0.0250n/an/an/an/a7.422



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 39: 918-28 (1996)


Article DOI: 10.1021/jm950692f
BindingDB Entry DOI: 10.7270/Q2222RZB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0290n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0290n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor from human A431 cell membranes


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3568
PNG
(CHEMBL327307 | N-(3,4-dibromophenyl)-6,7-dimethoxy...)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 0.0720n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3568
PNG
(CHEMBL327307 | N-(3,4-dibromophenyl)-6,7-dimethoxy...)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 0.0720n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3595
PNG
(4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]p...)
Show SMILES CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-13-12(8-17-14)15(19-9-18-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0910n/an/an/an/a7.422



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 39: 1823-35 (1996)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q2X928GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3595
PNG
(4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]p...)
Show SMILES CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-13-12(8-17-14)15(19-9-18-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.0910n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3297
PNG
(4-Anilinoquinazoline deriv. 48 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.100n/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: 10.1016/j.bmcl.2005.11.052
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3297
PNG
(4-Anilinoquinazoline deriv. 48 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.100n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3297
PNG
(4-Anilinoquinazoline deriv. 48 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50049566
PNG
(CHEMBL55729 | Quinazolin-7-ylamine)
Show SMILES Nc1ccc2cncnc2c1
Show InChI InChI=1S/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2
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n/an/a 0.100n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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n/an/a 0.120n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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n/an/a 0.120n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3303
PNG
(4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...)
Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
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n/an/a 0.120n/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: 10.1016/j.bmcl.2005.11.052
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3600
PNG
(4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-dia...)
Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
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n/an/a 0.130n/an/an/an/a7.422



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 39: 1823-35 (1996)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q2X928GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3600
PNG
(4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-dia...)
Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
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n/an/a 0.130n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3594
PNG
(4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimid...)
Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.130n/an/an/an/a7.422



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 39: 1823-35 (1996)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q2X928GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3594
PNG
(4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimid...)
Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.130n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3600
PNG
(4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-dia...)
Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
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n/an/a 0.130n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 39: 1823-35 (1996)


Article DOI: 10.1021/jm9508651
BindingDB Entry DOI: 10.7270/Q26T0KPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50087082
PNG
(CHEMBL417478 | N-[4-(3-Chloro-4-fluoro-phenylamino...)
Show SMILES Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
Show InChI InChI=1S/C24H24ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2-3,5-7,13-15H,1,4,8-12H2,(H,27,28,29)(H,30,31,33)/b5-3+
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n/an/a 0.160n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...


J Med Chem 43: 1380-97 (2001)


BindingDB Entry DOI: 10.7270/Q2H13179
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3302
PNG
(4-Anilinoquinazoline deriv. 53 | 4-[(3-bromophenyl...)
Show SMILES Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
Show InChI InChI=1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18)
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n/an/a 0.170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3557
PNG
(CHEMBL418967 | N-(3-bromophenyl)-6,7-dipropoxyquin...)
Show SMILES CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC
Show InChI InChI=1S/C20H22BrN3O2/c1-3-8-25-18-11-16-17(12-19(18)26-9-4-2)22-13-23-20(16)24-15-7-5-6-14(21)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23,24)
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n/an/a 0.170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3302
PNG
(4-Anilinoquinazoline deriv. 53 | 4-[(3-bromophenyl...)
Show SMILES Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
Show InChI InChI=1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18)
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n/an/a 0.170n/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: 10.1016/j.bmcl.2005.11.052
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3302
PNG
(4-Anilinoquinazoline deriv. 53 | 4-[(3-bromophenyl...)
Show SMILES Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
Show InChI InChI=1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18)
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n/an/a 0.170n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3557
PNG
(CHEMBL418967 | N-(3-bromophenyl)-6,7-dipropoxyquin...)
Show SMILES CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC
Show InChI InChI=1S/C20H22BrN3O2/c1-3-8-25-18-11-16-17(12-19(18)26-9-4-2)22-13-23-20(16)24-15-7-5-6-14(21)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23,24)
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n/an/a 0.170n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3702
PNG
(3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...)
Show SMILES OCC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-5-15(18-6-12(24)8-23)19-7-14(13)20-9-21-16/h1-5,7,9,12,23-24H,6,8H2,(H,18,19)(H,20,21,22)
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n/an/a 0.180n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3724
PNG
(4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimi...)
Show SMILES CNc1cc2c(Nc3cccc(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C14H12ClN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
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n/an/a 0.190n/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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3700
PNG
(2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...)
Show SMILES OCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)
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n/an/a 0.190n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3701
PNG
(2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...)
Show SMILES CN(CCO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C16H16BrN5O/c1-22(5-6-23)15-8-13-14(9-18-15)19-10-20-16(13)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5-6H2,1H3,(H,19,20,21)
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n/an/a 0.220n/an/an/an/a7.422



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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50355682
PNG
(CHEMBL1911117)
Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
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n/an/a 0.220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3534
PNG
(6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazo...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
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n/an/a 0.240n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3534
PNG
(6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazo...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
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n/an/a 0.240n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3520
PNG
(4-N-(3-chlorophenyl)quinazoline-4,7-diamine | CHEM...)
Show SMILES Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3690
PNG
(4-[(3-Bromophenyl)amino]-6-[[2-(4-imidazolyl)ethyl...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)nc23)c1
Show InChI InChI=1S/C17H15BrN8/c18-11-2-1-3-12(6-11)25-16-15-14(23-10-24-16)8-21-17(26-15)20-5-4-13-7-19-9-22-13/h1-3,6-10H,4-5H2,(H,19,22)(H,20,21,26)(H,23,24,25)
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n/an/a 0.25n/an/an/an/a7.422



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 40: 1820-6 (1997)


Article DOI: 10.1021/jm960879m
BindingDB Entry DOI: 10.7270/Q2J101C8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3520
PNG
(4-N-(3-chlorophenyl)quinazoline-4,7-diamine | CHEM...)
Show SMILES Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 0.25n/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/bi060184f
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077239
PNG
(CHEMBL52913 | N-[4-(3-Chloro-phenylamino)-quinazol...)
Show SMILES Clc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)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 0.25n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3722
PNG
(3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...)
Show SMILES OC(=O)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C16H14BrN5O2/c17-10-2-1-3-11(6-10)22-16-12-7-14(18-5-4-15(23)24)19-8-13(12)20-9-21-16/h1-3,6-9H,4-5H2,(H,18,19)(H,23,24)(H,20,21,22)
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n/an/a 0.270n/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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3720
PNG
(2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...)
Show SMILES OC(=O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show InChI InChI=1S/C15H12BrN5O2/c16-9-2-1-3-10(4-9)21-15-11-5-13(18-7-14(22)23)17-6-12(11)19-8-20-15/h1-6,8H,7H2,(H,17,18)(H,22,23)(H,19,20,21)
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n/an/a 0.280n/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 41: 742-51 (1998)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2DB800T
More data for this
Ligand-Target Pair
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