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Found 133 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM50323918
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C
Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40)
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n/an/a 8.60n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 10.8n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL


(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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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase


Bioorg Med Chem Lett 13: 3297-300 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097947
PNG
(CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 50n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 50n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097991
PNG
(CHEMBL355019 | {3-[4-Amino-5-(3-hydroxy-phenyl)-py...)
Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)
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n/an/a 54n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097971
PNG
(CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...)
Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)
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n/an/a 56n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097968
PNG
(3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(17)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)
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n/an/a 58n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 60n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM50323919
PNG
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)
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n/an/a 62.6n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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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n/an/a 70n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097967
PNG
(3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)
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n/an/a 98n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase


J Med Chem 45: 3772-93 (2002)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097958
PNG
(2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)
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n/an/a 120n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 125n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097962
PNG
(2-{3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]p...)
Show SMILES NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50132707
PNG
(4-3,3-dimethyltriaz-1-ene-N-[4-methyl-3-(4-pyridin...)
Show SMILES CN(C)\N=N\c1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H24N8O/c1-17-6-9-21(28-24(34)18-7-10-20(11-8-18)31-32-33(2)3)15-23(17)30-25-27-14-12-22(29-25)19-5-4-13-26-16-19/h4-16H,1-3H3,(H,28,34)(H,27,29,30)/b32-31+
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n/an/a 195n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase


Bioorg Med Chem Lett 13: 3297-300 (2003)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 200n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097979
PNG
(2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 226n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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
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 v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM50323921
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28)
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The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097959
PNG
(7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...)
Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)
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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 receptor tyrosine kinase enzyme activity


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097972
PNG
(3-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1
Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,22H,4-5,7H2,(H2,17,19,20)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 non-receptor tyrosine kinase v-Abl


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097974
PNG
(2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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
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 v-Abl tyrosine kinase activity


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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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n/an/a 400n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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
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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097963
PNG
(7-(1-(2-((2-methoxyethyl)(methyl)amino)ethyl)piper...)
Show SMILES COCCN(C)CCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H34N6O2/c1-28(13-14-31-2)11-12-29-9-7-19(8-10-29)30-16-21(18-5-4-6-20(15-18)32-3)22-23(25)26-17-27-24(22)30/h4-6,15-17,19H,7-14H2,1-3H3,(H2,25,26,27)
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n/an/a 500n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097961
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC(=O)N(C)C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H28N6O2/c1-26(2)19(29)13-27-9-7-16(8-10-27)28-12-18(15-5-4-6-17(11-15)30-3)20-21(23)24-14-25-22(20)28/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,23,24,25)
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Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097964
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC(N)=O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C20H24N6O2/c1-28-15-4-2-3-13(9-15)16-10-26(20-18(16)19(22)23-12-24-20)14-5-7-25(8-6-14)11-17(21)27/h2-4,9-10,12,14H,5-8,11H2,1H3,(H2,21,27)(H2,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM50323920
PNG
(CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1
Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34)
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n/an/a 572n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097989
PNG
(CHEMBL355891 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H23N5O3/c1-27-15-5-3-4-13(8-15)16-10-25(20-18(16)19(21)22-12-23-20)14-6-7-24(9-14)11-17(26)28-2/h3-5,8,10,12,14H,6-7,9,11H2,1-2H3,(H2,21,22,23)
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n/an/a 590n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay


Bioorg Med Chem Lett 11: 853-6 (2001)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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 non-receptor tyrosine kinase v-Abl


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097948
PNG
(2-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1ccc(CC(CO)n2cc(-c3cccc(OC)c3)c3c(N)ncnc23)cc1
Show InChI InChI=1S/C23H24N4O3/c1-29-18-8-6-15(7-9-18)10-17(13-28)27-12-20(16-4-3-5-19(11-16)30-2)21-22(24)25-14-26-23(21)27/h3-9,11-12,14,17,28H,10,13H2,1-2H3,(H2,24,25,26)
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n/an/a 680n/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)

More data for this
Ligand-Target Pair
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