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PubMed code 9191958

Compile data set for download or QSAR
Found 18 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))
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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PubMed
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))
BDBM3684
PNG
(4-[(3-Bromophenyl)amino]-6-(methylamino)pyrimido-[...)
Show SMILES CNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C13H11BrN6/c1-15-13-16-6-10-11(20-13)12(18-7-17-10)19-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,15,16,20)(H,17,18,19)
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PubMed
n/an/a 0.760n/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))
BDBM3688
PNG
(4-[(3-Bromophenyl)amino]-6-[[2-(4-morpholino)ethyl...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24)
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PubMed
n/an/a 0.810n/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))
BDBM3685
PNG
(4-[(3-Bromophenyl)amino]-6-(dimethylamino)pyrimido...)
Show SMILES CN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C14H13BrN6/c1-21(2)14-16-7-11-12(20-14)13(18-8-17-11)19-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,17,18,19)
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n/an/a 0.950n/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))
BDBM3683
PNG
(4-anilinopyrimido[5,4-d]pyrimidine deriv. 5b | 6-A...)
Show SMILES Nc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C12H9BrN6/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H2,14,15,19)(H,16,17,18)
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PubMed
n/an/a 1.5n/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))
BDBM3691
PNG
(4-[(3-Bromophenyl)amino]-6-[[3-(1-imidazolyl)propy...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)nc23)c1
Show InChI InChI=1S/C18H17BrN8/c19-13-3-1-4-14(9-13)25-17-16-15(23-11-24-17)10-22-18(26-16)21-5-2-7-27-8-6-20-12-27/h1,3-4,6,8-12H,2,5,7H2,(H,21,22,26)(H,23,24,25)
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PubMed
n/an/a 2.30n/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))
BDBM3696
PNG
(4-[(3-Methylphenyl)amino]-6-[[2-(4-morpholino)ethy...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H23N7O/c1-14-3-2-4-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-5-6-26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,20,21,25)(H,22,23,24)
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n/an/a 2.30n/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))
BDBM3689
PNG
(4-[(3-Bromophenyl)amino]-6-[[3-(4-morpholino)propy...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25)
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n/an/a 2.90n/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))
BDBM3697
PNG
(2-N-[2-(1H-imidazol-4-yl)ethyl]-8-N-(3-methylpheny...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)nc23)c1
Show InChI InChI=1S/C18H18N8/c1-12-3-2-4-13(7-12)25-17-16-15(23-11-24-17)9-21-18(26-16)20-6-5-14-8-19-10-22-14/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,20,21,26)(H,23,24,25)
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n/an/a 3n/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))
BDBM3686
PNG
(4-[(3-Bromophenyl)amino]-6-methoxypyrimido[5,4-d]-...)
Show SMILES COc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C13H10BrN5O/c1-20-13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
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n/an/a 3.80n/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))
BDBM3695
PNG
(2-N,2-N-dimethyl-8-N-(3-methylphenyl)-[1,3]diazino...)
Show SMILES CN(C)c1ncc2ncnc(Nc3cccc(C)c3)c2n1
Show InChI InChI=1S/C15H16N6/c1-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21(2)3/h4-9H,1-3H3,(H,17,18,19)
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n/an/a 4n/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))
BDBM3694
PNG
(2-N-methyl-8-N-(3-methylphenyl)-[1,3]diazino[5,4-d...)
Show SMILES CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
Show InChI InChI=1S/C14H14N6/c1-9-4-3-5-10(6-9)19-13-12-11(17-8-18-13)7-16-14(15-2)20-12/h3-8H,1-2H3,(H,15,16,20)(H,17,18,19)
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n/an/a 4.30n/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))
BDBM3681
PNG
(2-N-methyl-8-N-phenyl-[1,3]diazino[5,4-d]pyrimidin...)
Show SMILES CNc1ncc2ncnc(Nc3ccccc3)c2n1
Show InChI InChI=1S/C13H12N6/c1-14-13-15-7-10-11(19-13)12(17-8-16-10)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,19)(H,16,17,18)
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n/an/a 13n/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))
BDBM3693
PNG
(4-anilinopyrimido[5,4-d]pyrimidine deriv. 6b | 6-A...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(N)nc23)c1
Show InChI InChI=1S/C13H12N6/c1-8-3-2-4-9(5-8)18-12-11-10(16-7-17-12)6-15-13(14)19-11/h2-7H,1H3,(H2,14,15,19)(H,16,17,18)
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n/an/a 17n/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))
BDBM3687
PNG
(4-[(3-Bromophenyl)amino]-6-[[2-(dimethylamino)-eth...)
Show SMILES CN(C)CCNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C16H18BrN7/c1-24(2)7-6-18-16-19-9-13-14(23-16)15(21-10-20-13)22-12-5-3-4-11(17)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,23)(H,20,21,22)
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n/an/a 35n/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))
BDBM3682
PNG
(4-[(3-Bromophenyl)amino]-6-chloropyrimido[5,4-d]py...)
Show SMILES Clc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
Show InChI InChI=1S/C12H7BrClN5/c13-7-2-1-3-8(4-7)18-11-10-9(16-6-17-11)5-15-12(14)19-10/h1-6H,(H,16,17,18)
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n/an/a 82n/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))
BDBM3692
PNG
(4-[(3-Methylphenyl)amino]-6-chloropyrimido[5,4-d]p...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(Cl)nc23)c1
Show InChI InChI=1S/C13H10ClN5/c1-8-3-2-4-9(5-8)18-12-11-10(16-7-17-12)6-15-13(14)19-11/h2-7H,1H3,(H,16,17,18)
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n/an/a 380n/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))
BDBM3680
PNG
(4-anilinopyrimido[5,4-d]pyrimidine deriv. 4a | 6-C...)
Show SMILES Clc1ncc2ncnc(Nc3ccccc3)c2n1
Show InChI InChI=1S/C12H8ClN5/c13-12-14-6-9-10(18-12)11(16-7-15-9)17-8-4-2-1-3-5-8/h1-7H,(H,15,16,17)
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n/an/a 2.55E+3n/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
* indicates data uncertainty>20%