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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'mcmichael' and Initial = 'a'   
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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PubMed
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))
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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PubMed
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/jm9508651
BindingDB Entry DOI: 10.7270/Q2X928GF
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 0.00600n/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))
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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PubMed
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/jm9508651
BindingDB Entry DOI: 10.7270/Q2X928GF
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



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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
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))
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



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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
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



Parke-Davis Pharmaceutical Research



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/Q25T3HPR
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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PubMed
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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PubMed
n/an/a 0.0290n/an/an/an/an/an/a



University of Auckland



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/Q2X928GF
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/jm9503613
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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PubMed
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/jm9508651
BindingDB Entry DOI: 10.7270/Q2X928GF
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/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
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



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/Q2X928GF
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: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
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/jm9503613
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: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
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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PubMed
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/jm9508651
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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PubMed
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/jm9508651
BindingDB Entry DOI: 10.7270/Q2X928GF
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/jm9503613
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/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
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: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
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/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
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/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3770
PNG
(6-N-(3-bromophenyl)-8-thia-3,5-diazatricyclo[7.4.0...)
Show SMILES Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
Show InChI InChI=1S/C16H11BrN4S/c17-9-2-1-3-11(6-9)21-16-15-14(19-8-20-16)12-7-10(18)4-5-13(12)22-15/h1-8H,18H2,(H,19,20,21)
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n/an/a 0.270n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3571
PNG
(8-[(3-Bromophenyl)amino]-2-methyl-1H-imidazo[4,5-g...)
Show SMILES Cc1nc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[nH]1
Show InChI InChI=1S/C16H12BrN5/c1-9-20-14-6-12-13(7-15(14)21-9)18-8-19-16(12)22-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,21)(H,18,19,22)
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n/an/a 0.290n/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))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/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 0.310n/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))
BDBM3581
PNG
(8-[(3-Bromophenyl)amino]-1H-pyrazolo[3,4-g]quinazo...)
Show SMILES Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1
Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
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n/an/a 0.340n/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))
BDBM3522
PNG
(4-N-(3-iodophenyl)quinazoline-4,7-diamine | CHEMBL...)
Show SMILES Nc1ccc2c(Nc3cccc(I)c3)ncnc2c1
Show InChI InChI=1S/C14H11IN4/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 0.350n/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))
BDBM3583
PNG
(5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...)
Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1
Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)
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n/an/a 0.390n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3582
PNG
(5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...)
Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1
Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
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n/an/a 0.440n/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))
BDBM3583
PNG
(5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...)
Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1
Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(H,19,20,21)
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n/an/a 0.440n/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))
BDBM3582
PNG
(5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...)
Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1
Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
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n/an/a 0.440n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3772
PNG
(6-N-(3-bromophenyl)-8-thia-3,5-diazatricyclo[7.4.0...)
Show SMILES Nc1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc21
Show InChI InChI=1S/C16H11BrN4S/c17-9-2-1-3-11(6-9)21-16-15-14(19-8-20-16)12-5-4-10(18)7-13(12)22-15/h1-8H,18H2,(H,19,20,21)
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n/an/a 0.470n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3564
PNG
(4-[(3-Bromophenyl)amino]-5,6,7-trimethoxyquinazoli...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC
Show InChI InChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21)
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n/an/a 0.670n/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))
BDBM3544
PNG
(4-N-(3-bromophenyl)-7-N-methylquinazoline-4,6,7-tr...)
Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
Show InChI InChI=1S/C15H14BrN5/c1-18-14-7-13-11(6-12(14)17)15(20-8-19-13)21-10-4-2-3-9(16)5-10/h2-8,18H,17H2,1H3,(H,19,20,21)
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n/an/a 0.690n/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))
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 0.780n/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))
BDBM50049567
PNG
(CHEMBL53300 | Quinazolin-6-ylamine)
Show SMILES Nc1ccc2ncncc2c1
Show InChI InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2
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n/an/a 0.790n/an/an/an/an/an/a



University of Auckland



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/Q2X928GF
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))
BDBM3533
PNG
(CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
Show InChI InChI=1S/C16H14IN3O2/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 0.890n/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))
BDBM3567
PNG
(CHEMBL328106 | N-(4-bromophenyl)-6,7-dimethoxyquin...)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
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Article
PubMed
n/an/a 0.960n/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))
BDBM3733
PNG
(2-({6-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES Cc1cccc(Nc2cc(NCCO)ncn2)c1
Show InChI InChI=1S/C13H16N4O/c1-10-3-2-4-11(7-10)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16,17)
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PubMed
n/an/a 1n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3773
PNG
(6-N-(3-bromophenyl)-12-fluoro-8-thia-3,5-diazatric...)
Show SMILES Nc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F
Show InChI InChI=1S/C16H10BrFN4S/c17-8-2-1-3-9(4-8)22-16-15-14(20-7-21-16)10-5-11(18)12(19)6-13(10)23-15/h1-7H,19H2,(H,20,21,22)
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n/an/a 1n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3776
PNG
(4-(3-Bromoanilino)-8-methylaminobenzo[b]thieno[3,2...)
Show SMILES CNc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
Show InChI InChI=1S/C17H13BrN4S/c1-19-11-5-6-14-13(8-11)15-16(23-14)17(21-9-20-15)22-12-4-2-3-10(18)7-12/h2-9,19H,1H3,(H,20,21,22)
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n/an/a 1.10n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3758
PNG
(N-(3-Bromophenyl)-6-methoxy-1H-pyrimido[4,5-b]indo...)
Show SMILES COc1ccc2[nH]c3ncnc(Nc4cccc(Br)c4)c3c2c1
Show InChI InChI=1S/C17H13BrN4O/c1-23-12-5-6-14-13(8-12)15-16(19-9-20-17(15)22-14)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,20,21,22)
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n/an/a 1.20n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3584
PNG
(9-[(3-Bromophenyl)amino]-1H-pyrrolo[2,3-f]quinazol...)
Show SMILES Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1
Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(8-11)21-16-14-13(19-9-20-16)5-4-10-6-7-18-15(10)14/h1-9,18H,(H,19,20,21)
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n/an/a 1.24n/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 42: 5464-74 (1999)


Article DOI: 10.1021/jm9903949
BindingDB Entry DOI: 10.7270/Q28K7783
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3584
PNG
(9-[(3-Bromophenyl)amino]-1H-pyrrolo[2,3-f]quinazol...)
Show SMILES Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1
Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(8-11)21-16-14-13(19-9-20-16)5-4-10-6-7-18-15(10)14/h1-9,18H,(H,19,20,21)
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n/an/a 1.24n/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))
BDBM3573
PNG
(8-[(3-Bromophenyl)amino]-1-[2-(dimethylamino)ethyl...)
Show SMILES CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12
Show InChI InChI=1S/C19H19BrN6/c1-25(2)6-7-26-12-23-17-10-16-15(9-18(17)26)19(22-11-21-16)24-14-5-3-4-13(20)8-14/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24)
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Article
PubMed
n/an/a 1.32n/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))
BDBM3586
PNG
(4-[(3-Bromophenyl)amino]pyrazino[2,3-g]quinazoline...)
Show SMILES Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1
Show InChI InChI=1S/C16H10BrN5/c17-10-2-1-3-11(6-10)22-16-12-7-14-15(19-5-4-18-14)8-13(12)20-9-21-16/h1-9H,(H,20,21,22)
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Article
PubMed
n/an/a 1.70n/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
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