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Found 19 hits of Enz. Inhib. data with enzyme = 'Epidermal growth factor receptor' and Substrate = 'BDBM10852'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 200n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 2.20E+3n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 1.34E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 1.82E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a>5.00E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 5.65E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 1.11E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.60E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>5.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 5.29E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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Article
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n/an/an/a 35.3n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Proc Natl Acad Sci U S A 105: 2070-5 (2008)


Article DOI: 10.1073/pnas.0709662105
BindingDB Entry DOI: 10.7270/Q2DZ06MJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM26105
PNG
(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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n/an/an/a 10.9n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Cancer Cell 11: 217-27 (2007)


Article DOI: 10.1016/j.ccr.2006.12.017
BindingDB Entry DOI: 10.7270/Q2JQ0ZBW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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Article
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n/an/an/a 53.5n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Cancer Cell 11: 217-27 (2007)


Article DOI: 10.1016/j.ccr.2006.12.017
BindingDB Entry DOI: 10.7270/Q2JQ0ZBW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM26105
PNG
(6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
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n/an/an/a 5.30n/an/an/a7.422



Harvard Medical School



Assay Description
The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...


Proc Natl Acad Sci U S A 105: 2070-5 (2008)


Article DOI: 10.1073/pnas.0709662105
BindingDB Entry DOI: 10.7270/Q2DZ06MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)