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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50009891   
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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088905
PNG
(2-(3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25)
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n/an/a 10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088898
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088912
PNG
(2-(4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-4-2-1-3-5-16)13-26(21(19)25-14-24-20)17-8-6-15(7-9-17)12-23-10-11-27/h1-9,13-14,23,27H,10-12H2,(H2,22,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088908
PNG
(5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088908
PNG
(5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088902
PNG
((3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of EGF-receptor tyrosine kinase in intact cells


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088913
PNG
(5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088910
PNG
(5-(3-Chloro-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088913
PNG
(5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation in intact cells


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088902
PNG
((3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088898
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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n/an/a 230n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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n/an/a 300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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n/an/a 300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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n/an/a 300n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088907
PNG
((2-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CO
Show InChI InChI=1S/C19H16N4O/c20-18-17-15(13-6-2-1-3-7-13)10-23(19(17)22-12-21-18)16-9-5-4-8-14(16)11-24/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088913
PNG
(5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088913
PNG
(5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM3003
PNG
(1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |...)
Show SMILES Nc1ncnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine kinase c-Src


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088908
PNG
(5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation in intact cells


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088902
PNG
((3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24H,11H2,(H2,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088910
PNG
(5-(3-Chloro-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088912
PNG
(2-(4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-4-2-1-3-5-16)13-26(21(19)25-14-24-20)17-8-6-15(7-9-17)12-23-10-11-27/h1-9,13-14,23,27H,10-12H2,(H2,22,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation in intact cells


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088910
PNG
(5-(3-Chloro-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088898
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088908
PNG
(5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088898
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088910
PNG
(5-(3-Chloro-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088912
PNG
(2-(4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-4-2-1-3-5-16)13-26(21(19)25-14-24-20)17-8-6-15(7-9-17)12-23-10-11-27/h1-9,13-14,23,27H,10-12H2,(H2,22,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088907
PNG
((2-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CO
Show InChI InChI=1S/C19H16N4O/c20-18-17-15(13-6-2-1-3-7-13)10-23(19(17)22-12-21-18)16-9-5-4-8-14(16)11-24/h1-10,12,24H,11H2,(H2,20,21,22)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
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