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Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'mamuya' and Initial = 'n'   
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))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)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 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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n/an/a 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)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 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4568
PNG
(4-anilinoquinazoline deriv. 10a | N-{4-[(3-bromoph...)
Show SMILES CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 6n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4566
PNG
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)
Show SMILES CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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n/an/a 8n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 9n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4569
PNG
(4-anilinoquinazoline deriv. 10b | N-{4-[(3-bromoph...)
Show SMILES CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5,7-8,10-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)
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n/an/a 12n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4568
PNG
(4-anilinoquinazoline deriv. 10a | N-{4-[(3-bromoph...)
Show SMILES CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4592
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(CCO)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O2/c1-27(10-11-28)9-3-6-20(29)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12-16/h2-8,12-14,28H,9-11H2,1H3,(H,25,29)(H,23,24,26)/b6-3+
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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n/an/a 16n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4575
PNG
(4-anilinoquinazoline deriv. 10h | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H20BrN5O2/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)
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n/an/a 20n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4569
PNG
(4-anilinoquinazoline deriv. 10b | N-{4-[(3-bromoph...)
Show SMILES CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5,7-8,10-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4575
PNG
(4-anilinoquinazoline deriv. 10h | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H20BrN5O2/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)
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n/an/a 53n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4574
PNG
(4-anilinoquinazoline deriv. 10g | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCCCC4)cc23)c1
Show InChI InChI=1S/C23H22BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1-3-12-29/h4,6-7,9-10,14-16H,1-3,11-13H2,(H,27,30)(H,25,26,28)
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n/an/a 57n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4581
PNG
(4-anilinoquinazoline deriv. 10n | CHEMBL93049 | N-...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H17BrN4O3/c1-27-13-28-9-3-6-19(26)24-16-7-8-18-17(11-16)20(23-12-22-18)25-15-5-2-4-14(21)10-15/h2,4-5,7-8,10-12H,9,13H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 59n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4591
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES COCCN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H24BrN5O2/c1-28(11-12-30-2)10-4-7-21(29)26-18-8-9-20-19(14-18)22(25-15-24-20)27-17-6-3-5-16(23)13-17/h3-9,13-15H,10-12H2,1-2H3,(H,26,29)(H,24,25,27)/b7-4+
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n/an/a 62n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4570
PNG
(4-anilinoquinazoline deriv. 10c | N-{4-[(3-bromoph...)
Show SMILES CCCN(CCC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C24H26BrN5O/c1-3-12-30(13-4-2)14-6-9-23(31)28-20-10-11-22-21(16-20)24(27-17-26-22)29-19-8-5-7-18(25)15-19/h5,7-8,10-11,15-17H,3-4,12-14H2,1-2H3,(H,28,31)(H,26,27,29)
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n/an/a 62n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4578
PNG
(4-anilinoquinazoline deriv. 10k | N-{4-[(3-bromoph...)
Show SMILES CCN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1
Show InChI InChI=1S/C24H25BrN6O/c1-2-30-11-13-31(14-12-30)10-4-7-23(32)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3-5-18(25)15-19/h3,5-6,8-9,15-17H,2,10-14H2,1H3,(H,28,32)(H,26,27,29)
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n/an/a 65n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4577
PNG
(4-anilinoquinazoline deriv. 10j | N-{4-[(3-bromoph...)
Show SMILES COC[C@@H]1CCCN1CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C24H24BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-2-5-17(25)13-18/h2,5-6,9-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/t20-/m0/s1
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n/an/a 65n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4580
PNG
(4-anilinoquinazoline deriv. 10m | N-{4-[(3-bromoph...)
Show SMILES COCCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H19BrN4O3/c1-28-10-11-29-9-3-6-20(27)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12-16/h2,4-5,7-8,12-14H,9-11H2,1H3,(H,25,27)(H,23,24,26)
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n/an/a 65n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4593
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCC(CC4)N4CCCCC4)cc23)c1
Show InChI InChI=1S/C28H33BrN6O/c29-21-6-4-7-22(18-21)33-28-25-19-23(9-10-26(25)30-20-31-28)32-27(36)8-5-13-34-16-11-24(12-17-34)35-14-2-1-3-15-35/h4-10,18-20,24H,1-3,11-17H2,(H,32,36)(H,30,31,33)/b8-5+
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n/an/a 68n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
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 70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
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 70n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 43: 3244-56 (2000)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q22V2D9M
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4573
PNG
(4-anilinoquinazoline deriv. 10f | N-{4-[(3-bromoph...)
Show SMILES CN(CC=C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H20BrN5O/c1-3-11-28(2)12-5-8-21(29)26-18-9-10-20-19(14-18)22(25-15-24-20)27-17-7-4-6-16(23)13-17/h3-4,6-7,9-10,13-15H,1,11-12H2,2H3,(H,26,29)(H,24,25,27)
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n/an/a 71n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4584
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H24BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)/b9-6+
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n/an/a 73n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4574
PNG
(4-anilinoquinazoline deriv. 10g | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCCCC4)cc23)c1
Show InChI InChI=1S/C23H22BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1-3-12-29/h4,6-7,9-10,14-16H,1-3,11-13H2,(H,27,30)(H,25,26,28)
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n/an/a 73n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4587
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H22BrN5O2/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)/b5-2+
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n/an/a 74n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4590
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES COC[C@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C24H26BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-2-5-17(25)13-18/h2,4-6,8-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/b8-4+/t20-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4571
PNG
(4-anilinoquinazoline deriv. 10d | N-{4-[(3-bromoph...)
Show SMILES CC(C)N(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-15(2)28(3)11-5-8-21(29)26-18-9-10-20-19(13-18)22(25-14-24-20)27-17-7-4-6-16(23)12-17/h4,6-7,9-10,12-15H,11H2,1-3H3,(H,26,29)(H,24,25,27)
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n/an/a 85n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4573
PNG
(4-anilinoquinazoline deriv. 10f | N-{4-[(3-bromoph...)
Show SMILES CN(CC=C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H20BrN5O/c1-3-11-28(2)12-5-8-21(29)26-18-9-10-20-19(14-18)22(25-15-24-20)27-17-7-4-6-16(23)13-17/h3-4,6-7,9-10,13-15H,1,11-12H2,2H3,(H,26,29)(H,24,25,27)
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n/an/a 85n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4585
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CCCN(CCC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C24H28BrN5O/c1-3-12-30(13-4-2)14-6-9-23(31)28-20-10-11-22-21(16-20)24(27-17-26-22)29-19-8-5-7-18(25)15-19/h5-11,15-17H,3-4,12-14H2,1-2H3,(H,28,31)(H,26,27,29)/b9-6+
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n/an/a 90n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50122578
PNG
(4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C
Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)
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n/an/a 90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4576
PNG
(4-anilinoquinazoline deriv. 10i | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)c1
Show InChI InChI=1S/C22H20BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)
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n/an/a 95n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4572
PNG
(4-[bis(propan-2-yl)amino]-N-{4-[(3-bromophenyl)ami...)
Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(C)C
Show InChI InChI=1S/C24H26BrN5O/c1-16(2)30(17(3)4)12-6-9-23(31)28-20-10-11-22-21(14-20)24(27-15-26-22)29-19-8-5-7-18(25)13-19/h5,7-8,10-11,13-17H,12H2,1-4H3,(H,28,31)(H,26,27,29)
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n/an/a 97n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4586
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCCCC4)cc23)c1
Show InChI InChI=1S/C23H24BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1-3-12-29/h4-10,14-16H,1-3,11-13H2,(H,27,30)(H,25,26,28)/b8-5+
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n/an/a 106n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4599
PNG
(4-anilinoquinazoline deriv. 23 | N-{4-[(3-bromophe...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-15(13-28-7-9-30-10-8-28)22(29)27-18-5-6-20-19(12-18)21(25-14-24-20)26-17-4-2-3-16(23)11-17/h2-6,11-12,14H,1,7-10,13H2,(H,27,29)(H,24,25,26)
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n/an/a 107n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4571
PNG
(4-anilinoquinazoline deriv. 10d | N-{4-[(3-bromoph...)
Show SMILES CC(C)N(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-15(2)28(3)11-5-8-21(29)26-18-9-10-20-19(13-18)22(25-14-24-20)27-17-7-4-6-16(23)12-17/h4,6-7,9-10,12-15H,11H2,1-3H3,(H,26,29)(H,24,25,27)
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n/an/a 113n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)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 114n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4598
PNG
(4-anilinoquinazoline deriv. 20 | N-{4-[(3-bromophe...)
Show SMILES CN1CCC=C(C1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |c:4|
Show InChI InChI=1S/C21H20BrN5O/c1-27-9-3-4-14(12-27)21(28)26-17-7-8-19-18(11-17)20(24-13-23-19)25-16-6-2-5-15(22)10-16/h2,4-8,10-11,13H,3,9,12H2,1H3,(H,26,28)(H,23,24,25)
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n/an/a 115n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4580
PNG
(4-anilinoquinazoline deriv. 10m | N-{4-[(3-bromoph...)
Show SMILES COCCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H19BrN4O3/c1-28-10-11-29-9-3-6-20(27)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12-16/h2,4-5,7-8,12-14H,9-11H2,1H3,(H,25,27)(H,23,24,26)
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n/an/a 116n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4577
PNG
(4-anilinoquinazoline deriv. 10j | N-{4-[(3-bromoph...)
Show SMILES COC[C@@H]1CCCN1CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C24H24BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-2-5-17(25)13-18/h2,5-6,9-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/t20-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4581
PNG
(4-anilinoquinazoline deriv. 10n | CHEMBL93049 | N-...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H17BrN4O3/c1-27-13-28-9-3-6-19(26)24-16-7-8-18-17(11-16)20(23-12-22-18)25-15-5-2-4-14(21)10-15/h2,4-5,7-8,10-12H,9,13H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 122n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4576
PNG
(4-anilinoquinazoline deriv. 10i | N-{4-[(3-bromoph...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)c1
Show InChI InChI=1S/C22H20BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)
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n/an/a 124n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50122565
PNG
(4-Dipropylamino-but-2-ynoic acid [4-(3-bromo-pheny...)
Show SMILES CCCN(CCC)CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C26H26BrN5O/c1-3-12-32(13-4-2)14-6-9-25(33)30-22-10-11-24-23(16-22)26(19(17-28)18-29-24)31-21-8-5-7-20(27)15-21/h5,7-8,10-11,15-16,18H,3-4,12-14H2,1-2H3,(H,29,31)(H,30,33)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4589
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES COC[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C24H26BrN5O2/c1-32-15-20-7-3-11-30(20)12-4-8-23(31)28-19-9-10-22-21(14-19)24(27-16-26-22)29-18-6-2-5-17(25)13-18/h2,4-6,8-10,13-14,16,20H,3,7,11-12,15H2,1H3,(H,28,31)(H,26,27,29)/b8-4+/t20-/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50122570
PNG
((2S)4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoi...)
Show SMILES COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)
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n/an/a 150n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
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