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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50010722   
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))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097951
PNG
(4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-6-12(21)7-5-10)8-20(11-2-1-3-11)16(14)19-9-18-15/h4-9,11,21H,1-3H2,(H2,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097941
PNG
(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-5-7-13(22)8-6-11)9-21(12-3-1-2-4-12)17(15)20-10-19-16/h5-10,12,22H,1-4H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097938
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CC(O)C1 |(8.66,-6.66,;8.68,-8.19,;7.34,-8.98,;7.34,-10.53,;8.68,-11.3,;10.02,-10.52,;11.49,-10.99,;12.4,-9.74,;11.48,-8.49,;11.95,-7.02,;10.91,-5.89,;11.37,-4.43,;12.89,-4.08,;13.92,-5.22,;13.45,-6.7,;10.02,-8.98,;11.98,-12.45,;11.29,-13.82,;12.67,-14.51,;13.17,-15.96,;13.35,-13.13,)|
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-2-1-3-5-10)8-20(11-6-12(21)7-11)16(14)19-9-18-15/h1-5,8-9,11-12,21H,6-7H2,(H2,17,18,19)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097944
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(C2)C(=O)NCCO)c2ncnc(N)c12 |(14.27,-.7,;13.8,-2.17,;12.3,-2.49,;11.27,-1.34,;9.75,-1.69,;9.28,-3.16,;10.32,-4.29,;11.83,-3.96,;9.85,-5.75,;10.78,-7,;9.87,-8.25,;10.36,-9.71,;9.66,-11.08,;11.04,-11.77,;11.72,-10.39,;11.29,-13.29,;12.72,-13.85,;10.08,-14.26,;10.32,-15.79,;9.13,-16.75,;9.36,-18.27,;8.39,-7.79,;7.05,-8.57,;5.71,-7.79,;5.71,-6.24,;7.05,-5.47,;7.04,-3.93,;8.39,-6.24,)|
Show InChI InChI=1S/C20H23N5O3/c1-28-15-4-2-3-12(9-15)16-10-25(19-17(16)18(21)23-11-24-19)14-7-13(8-14)20(27)22-5-6-26/h2-4,9-11,13-14,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)|
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097947
PNG
(CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-12(7-14)15-8-22(13-5-11(6-13)9-23)18-16(15)17(19)20-10-21-18/h2-4,7-8,10-11,13,23H,5-6,9H2,1H3,(H2,19,20,21)
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n/an/a 30n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097937
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-2-1-3-5-11)9-21(17(15)20-10-19-16)12-6-7-13(22)8-12/h1-5,9-10,12-13,22H,6-8H2,(H2,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097945
PNG
(7-Cyclobutyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N4O/c1-22-13-7-2-4-11(8-13)14-9-21(12-5-3-6-12)17-15(14)16(18)19-10-20-17/h2,4,7-10,12H,3,5-6H2,1H3,(H2,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097947
PNG
(CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-12(7-14)15-8-22(13-5-11(6-13)9-23)18-16(15)17(19)20-10-21-18/h2-4,7-8,10-11,13,23H,5-6,9H2,1H3,(H2,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097946
PNG
(3-{4-Amino-7-[1-hydroxymethyl-2-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc23)cc1
Show InChI InChI=1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(20)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)
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n/an/a 42n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097945
PNG
(7-Cyclobutyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N4O/c1-22-13-7-2-4-11(8-13)14-9-21(12-5-3-6-12)17-15(14)16(18)19-10-20-17/h2,4,7-10,12H,3,5-6H2,1H3,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097937
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-2-1-3-5-11)9-21(17(15)20-10-19-16)12-6-7-13(22)8-12/h1-5,9-10,12-13,22H,6-8H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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n/an/a 80n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097954
PNG
(7-Cyclopentyl-5-(4-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-6-12(7-9-14)15-10-22(13-4-2-3-5-13)18-16(15)17(19)20-11-21-18/h6-11,13H,2-5H2,1H3,(H2,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097951
PNG
(4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-6-12(21)7-5-10)8-20(11-2-1-3-11)16(14)19-9-18-15/h4-9,11,21H,1-3H2,(H2,17,18,19)
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n/an/a 85n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097936
PNG
(7-Cyclobutyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4/c17-15-14-13(11-5-2-1-3-6-11)9-20(12-7-4-8-12)16(14)19-10-18-15/h1-3,5-6,9-10,12H,4,7-8H2,(H2,17,18,19)
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n/an/a 90n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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n/an/a 100n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
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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n/an/a 100n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase enzyme


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097941
PNG
(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-5-7-13(22)8-6-11)9-21(12-3-1-2-4-12)17(15)20-10-19-16/h5-10,12,22H,1-4H2,(H2,18,19,20)
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097936
PNG
(7-Cyclobutyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4/c17-15-14-13(11-5-2-1-3-6-11)9-20(12-7-4-8-12)16(14)19-10-18-15/h1-3,5-6,9-10,12H,4,7-8H2,(H2,17,18,19)
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097955
PNG
(7-Cyclopentyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4/c18-16-15-14(12-6-2-1-3-7-12)10-21(13-8-4-5-9-13)17(15)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097955
PNG
(7-Cyclopentyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4/c18-16-15-14(12-6-2-1-3-7-12)10-21(13-8-4-5-9-13)17(15)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097950
PNG
(7-Cyclobutyl-5-(4-methoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1ccc(cc1)-c1cn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N4O/c1-22-13-7-5-11(6-8-13)14-9-21(12-3-2-4-12)17-15(14)16(18)19-10-20-17/h5-10,12H,2-4H2,1H3,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097937
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-2-1-3-5-11)9-21(17(15)20-10-19-16)12-6-7-13(22)8-12/h1-5,9-10,12-13,22H,6-8H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097944
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(C2)C(=O)NCCO)c2ncnc(N)c12 |(14.27,-.7,;13.8,-2.17,;12.3,-2.49,;11.27,-1.34,;9.75,-1.69,;9.28,-3.16,;10.32,-4.29,;11.83,-3.96,;9.85,-5.75,;10.78,-7,;9.87,-8.25,;10.36,-9.71,;9.66,-11.08,;11.04,-11.77,;11.72,-10.39,;11.29,-13.29,;12.72,-13.85,;10.08,-14.26,;10.32,-15.79,;9.13,-16.75,;9.36,-18.27,;8.39,-7.79,;7.05,-8.57,;5.71,-7.79,;5.71,-6.24,;7.05,-5.47,;7.04,-3.93,;8.39,-6.24,)|
Show InChI InChI=1S/C20H23N5O3/c1-28-15-4-2-3-12(9-15)16-10-25(19-17(16)18(21)23-11-24-19)14-7-13(8-14)20(27)22-5-6-26/h2-4,9-11,13-14,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)
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n/an/a 230n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097941
PNG
(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-5-7-13(22)8-6-11)9-21(12-3-1-2-4-12)17(15)20-10-19-16/h5-10,12,22H,1-4H2,(H2,18,19,20)
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n/an/a 250n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097954
PNG
(7-Cyclopentyl-5-(4-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-6-12(7-9-14)15-10-22(13-4-2-3-5-13)18-16(15)17(19)20-11-21-18/h6-11,13H,2-5H2,1H3,(H2,19,20,21)
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n/an/a 260n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)|
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097941
PNG
(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-5-7-13(22)8-6-11)9-21(12-3-1-2-4-12)17(15)20-10-19-16/h5-10,12,22H,1-4H2,(H2,18,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097944
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(C2)C(=O)NCCO)c2ncnc(N)c12 |(14.27,-.7,;13.8,-2.17,;12.3,-2.49,;11.27,-1.34,;9.75,-1.69,;9.28,-3.16,;10.32,-4.29,;11.83,-3.96,;9.85,-5.75,;10.78,-7,;9.87,-8.25,;10.36,-9.71,;9.66,-11.08,;11.04,-11.77,;11.72,-10.39,;11.29,-13.29,;12.72,-13.85,;10.08,-14.26,;10.32,-15.79,;9.13,-16.75,;9.36,-18.27,;8.39,-7.79,;7.05,-8.57,;5.71,-7.79,;5.71,-6.24,;7.05,-5.47,;7.04,-3.93,;8.39,-6.24,)|
Show InChI InChI=1S/C20H23N5O3/c1-28-15-4-2-3-12(9-15)16-10-25(19-17(16)18(21)23-11-24-19)14-7-13(8-14)20(27)22-5-6-26/h2-4,9-11,13-14,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)
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n/an/a 330n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097946
PNG
(3-{4-Amino-7-[1-hydroxymethyl-2-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc23)cc1
Show InChI InChI=1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(20)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)
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n/an/a 340n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097938
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CC(O)C1 |(8.66,-6.66,;8.68,-8.19,;7.34,-8.98,;7.34,-10.53,;8.68,-11.3,;10.02,-10.52,;11.49,-10.99,;12.4,-9.74,;11.48,-8.49,;11.95,-7.02,;10.91,-5.89,;11.37,-4.43,;12.89,-4.08,;13.92,-5.22,;13.45,-6.7,;10.02,-8.98,;11.98,-12.45,;11.29,-13.82,;12.67,-14.51,;13.17,-15.96,;13.35,-13.13,)|
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-2-1-3-5-10)8-20(11-6-12(21)7-11)16(14)19-9-18-15/h1-5,8-9,11-12,21H,6-7H2,(H2,17,18,19)
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n/an/a 390n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097946
PNG
(3-{4-Amino-7-[1-hydroxymethyl-2-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc23)cc1
Show InChI InChI=1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(20)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)|
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
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n/an/a 420n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097947
PNG
(CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-12(7-14)15-8-22(13-5-11(6-13)9-23)18-16(15)17(19)20-10-21-18/h2-4,7-8,10-11,13,23H,5-6,9H2,1H3,(H2,19,20,21)
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n/an/a 420n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097957
PNG
(2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C(CO)Cc1ccccc1
Show InChI InChI=1S/C21H20N4O/c22-20-19-18(16-9-5-2-6-10-16)12-25(21(19)24-14-23-20)17(13-26)11-15-7-3-1-4-8-15/h1-10,12,14,17,26H,11,13H2,(H2,22,23,24)
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n/an/a 440n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097945
PNG
(7-Cyclobutyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N4O/c1-22-13-7-2-4-11(8-13)14-9-21(12-5-3-6-12)17-15(14)16(18)19-10-20-17/h2,4,7-10,12H,3,5-6H2,1H3,(H2,18,19,20)
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n/an/a 450n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50403911
PNG
(CHEMBL471945)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c21-19-18-16(14-7-3-1-4-8-14)11-24(20(18)23-13-22-19)17(12-25)15-9-5-2-6-10-15/h1-11,13,17,25H,12H2,(H2,21,22,23)/t17-/m0/s1
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)|
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097955
PNG
(7-Cyclopentyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4/c18-16-15-14(12-6-2-1-3-7-12)10-21(13-8-4-5-9-13)17(15)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,18,19,20)
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n/an/a 500n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
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