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Compile Data Set for Download or QSAR

Found 2407 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in SKBR3 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in BT474 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 81n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in A431 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/an/a 690n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human Her2 in SW620 cells


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50236369
PNG
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)
Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of erbB2


Bioorg Med Chem Lett 18: 1799-803 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>1.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERBB2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>1.44E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERBB2


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50390489
PNG
(CHEMBL2071602)
Show SMILES CN(C)c1ccc(\C=C\c2ccc3ncnc(NCc4ccccc4)c3c2)cc1
Show InChI InChI=1S/C25H24N4/c1-29(2)22-13-10-19(11-14-22)8-9-20-12-15-24-23(16-20)25(28-18-27-24)26-17-21-6-4-3-5-7-21/h3-16,18H,17H2,1-2H3,(H,26,27,28)/b9-8+
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3.10E+3n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 autophosphorylation Thr 1139 residue in human BT474 cells at 2 to 14 uM after 12 hrs by fluorescence assay


Bioorg Med Chem Lett 22: 5532-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.034
BindingDB Entry DOI: 10.7270/Q2N017MV
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50326046
PNG
((2S,5S,8S,11R,14R,17S)-17,21-diamino-8-(4-hydroxyb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(O)=O
Show InChI InChI=1S/C30H49N7O9S2/c1-16(2)11-21(30(45)46)34-27(42)22(13-38)35-26(41)20(12-17-6-8-18(39)9-7-17)33-28(43)24(15-48)37-29(44)23(14-47)36-25(40)19(32)5-3-4-10-31/h6-9,16,19-24,38-39,47-48H,3-5,10-15,31-32H2,1-2H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)(H,37,44)(H,45,46)/t19-,20-,21-,22-,23-,24-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Binding affinity to ErbB-2


Nat Chem Biol 5: 502-7 (2009)


Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of ERBB2


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 378n/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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 177n/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: 10.1021/jm0005555
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 162n/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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 301n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 1.16E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 1.43E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 1.56E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 2.78E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4588
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCSCC4)cc23)c1
Show InChI InChI=1S/C22H22BrN5OS/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 2.81E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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
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 1.91E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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
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 733n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 634n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 414n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 1.59E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4594
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\Cn4cccn4)cc23)c1
Show InChI InChI=1S/C21H17BrN6O/c22-15-4-1-5-16(12-15)27-21-18-13-17(7-8-19(18)23-14-24-21)26-20(29)6-2-10-28-11-3-9-25-28/h1-9,11-14H,10H2,(H,26,29)(H,23,24,27)/b6-2+
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n/an/a 1.56E+4n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4595
PNG
(4-anilinoquinazoline deriv. 17 | 6-Substituted 4-A...)
Show SMILES CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2H3,(H,23,24)(H,20,21,22)
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n/an/a 1.52E+4n/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: 10.1021/jm0005555
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: 10.1021/jm0005555
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
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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 183n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4596
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}bu...)
Show SMILES C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H15BrN4O/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/h2-11H,1H3,(H,22,24)(H,20,21,23)/b4-2+
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n/an/a 9.13E+4n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4597
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES COC\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H17BrN4O2/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/h2-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)/b6-3+
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n/an/a 8.83E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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
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 5.04E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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 458n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4600
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3...)
Show SMILES CN(C)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H18BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-12H,1-2H3,(H,23,26)(H,21,22,24)/b9-8+
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n/an/a 2.57E+4n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4601
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\N4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H20BrN5O2/c22-15-2-1-3-16(12-15)26-21-18-13-17(4-5-19(18)23-14-24-21)25-20(28)6-7-27-8-10-29-11-9-27/h1-7,12-14H,8-11H2,(H,25,28)(H,23,24,26)/b7-6+
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n/an/a 4.18E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4602
PNG
((2Z)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}bu...)
Show SMILES C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H15BrN4O/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/h2-11H,1H3,(H,22,24)(H,20,21,23)/b4-2-
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n/an/a 2.17E+4n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4603
PNG
((2Z)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES COC[C@@H]1CCCN1C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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 2.92E+3n/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: 10.1021/jm0005555
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5439
PNG
(6-Thiazolylquinazoline 1 | N-(3-chloro-4-fluorophe...)
Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C21H19ClFN5O2S2/c1-32(29,30)7-6-24-10-20-28-19(11-31-20)13-2-5-18-15(8-13)21(26-12-25-18)27-14-3-4-17(23)16(22)9-14/h2-5,8-9,11-12,24H,6-7,10H2,1H3,(H,25,26,27)
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n/an/a 200n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...


Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.010
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5440
PNG
(6-Thiazolylquinazoline 2 | N-[4-(benzyloxy)phenyl]...)
Show SMILES CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C28H27N5O3S2/c1-38(34,35)14-13-29-16-27-33-26(18-37-27)21-7-12-25-24(15-21)28(31-19-30-25)32-22-8-10-23(11-9-22)36-17-20-5-3-2-4-6-20/h2-12,15,18-19,29H,13-14,16-17H2,1H3,(H,30,31,32)
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n/an/a 48n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...


Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.010
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair
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