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Compile Data Set for Download or QSAR

Found 202 hits of ph data with Target = 'BCR/ABL fusion protein (T351I)'   
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
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196591
PNG
(US9670214, TABLE 16.40)
Show SMILES Nc1cc(C2CC2)n(n1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H15F3N6O/c18-17(19,20)27-12-5-3-11(4-6-12)24-15-8-16(23-9-22-15)26-13(10-1-2-10)7-14(21)25-26/h3-10H,1-2H2,(H2,21,25)(H,22,23,24)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196592
PNG
(US9670214, TABLE 16.41)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(c3)C(F)(F)F)ncn2)cc1
Show InChI InChI=1S/C21H14F6N6O/c22-20(23,24)13-2-1-3-15(10-13)33-9-8-28-19(33)32-18-11-17(29-12-30-18)31-14-4-6-16(7-5-14)34-21(25,26)27/h1-12H,(H2,28,29,30,31,32)
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n/an/a 1.48E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196593
PNG
(US9670214, TABLE 16.42)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-n2ccc3cccnc23)cc1
Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-14-5-3-13(4-6-14)25-15-10-16(24-11-23-15)26-9-7-12-2-1-8-22-17(12)26/h1-11H,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328136
PNG
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
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n/an/an/an/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328137
PNG
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)
Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)
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n/an/a 3.10E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328156
PNG
(6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluorometh...)
Show SMILES CC(C)Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H18F3N5O/c1-12(2)9-26-10-13(8-24-26)16-7-17(23-11-22-16)25-14-3-5-15(6-4-14)27-18(19,20)21/h3-8,10-12H,9H2,1-2H3,(H,22,23,25)
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n/an/a 1.55E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196597
PNG
(US9670214, TABLE 16.46)
Show SMILES CC(C)Cn1cc(cn1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C19H20F3N5O/c1-12(2)9-27-10-14(8-25-27)17-13(3)18(24-11-23-17)26-15-4-6-16(7-5-15)28-19(20,21)22/h4-8,10-12H,9H2,1-3H3,(H,23,24,26)
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n/an/a 1.55E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328158
PNG
(CHEMBL1257780 | N-(4-(trifluoromethoxy)phenyl)-6-(...)
Show SMILES Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196599
PNG
(US9670214, TABLE 16.48)
Show SMILES CS(=O)(=O)c1ccc(Cn2cc(cn2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1
Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)19-8-2-15(3-9-19)12-30-13-16(11-28-30)20-10-21(27-14-26-20)29-17-4-6-18(7-5-17)33-22(23,24)25/h2-11,13-14H,12H2,1H3,(H,26,27,29)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196600
PNG
(US9670214, TABLE 16.49)
Show SMILES CCS(=O)(=O)n1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C16H14F3N5O3S/c1-2-28(25,26)24-9-11(8-22-24)14-7-15(21-10-20-14)23-12-3-5-13(6-4-12)27-16(17,18)19/h3-10H,2H2,1H3,(H,20,21,23)
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n/an/a 4.25E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196601
PNG
(US9670214, TABLE 16.50)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3ccncc3)c2)cc1
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)30-17-3-1-16(2-4-17)28-19-9-18(25-13-26-19)15-10-27-29(12-15)11-14-5-7-24-8-6-14/h1-10,12-13H,11H2,(H,25,26,28)
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n/an/a 4.00E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196602
PNG
(US9670214, TABLE 16.51 | US9670214, TABLE 16.65)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C21H22F3N7O2/c22-21(23,24)33-16-3-1-15(2-4-16)30-20-12-18(27-14-29-20)17-11-19(28-13-26-17)25-5-6-31-7-9-32-10-8-31/h1-4,11-14H,5-10H2,(H,25,26,28)(H,27,29,30)
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n/an/a 9.80E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196603
PNG
(US9670214, TABLE 16.52)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cnn(C)c1
Show InChI InChI=1S/C16H14F3N5O/c1-10-14(11-7-22-24(2)8-11)20-9-21-15(10)23-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,1-2H3,(H,20,21,23)
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n/an/a 3.00E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328157
PNG
(6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(triflu...)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C21H16F3N5O/c1-14-18(12-27-29(14)16-5-3-2-4-6-16)19-11-20(26-13-25-19)28-15-7-9-17(10-8-15)30-21(22,23)24/h2-13H,1H3,(H,25,26,28)
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n/an/a 6.23E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196605
PNG
(US9670214, TABLE 16.54)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C22H18F3N5O/c1-14-20(19-12-28-30(15(19)2)17-6-4-3-5-7-17)26-13-27-21(14)29-16-8-10-18(11-9-16)31-22(23,24)25/h3-13H,1-2H3,(H,26,27,29)
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n/an/a 5.24E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328160
PNG
(6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
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n/an/a 6.67E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196607
PNG
(US9670214, TABLE 16.56)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-7-5-12(6-8-13)26-18-9-17(24-11-25-18)15-10-23-16-4-2-1-3-14(15)16/h1-11,23H,(H,24,25,26)
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n/an/a 9.28E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328161
PNG
(6-(1H-indol-5-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-15-4-2-14(3-5-15)26-18-10-17(24-11-25-18)12-1-6-16-13(9-12)7-8-23-16/h1-11,23H,(H,24,25,26)
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n/an/a 8.71E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196609
PNG
(US9670214, TABLE 16.58)
Show SMILES COc1cc(co1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C16H12F3N3O3/c1-23-15-6-10(8-24-15)13-7-14(21-9-20-13)22-11-2-4-12(5-3-11)25-16(17,18)19/h2-9H,1H3,(H,20,21,22)
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n/an/a 3.83E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196610
PNG
(US9670214, TABLE 16.59)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3sccc23)cc1
Show InChI InChI=1S/C19H12F3N3OS/c20-19(21,22)26-13-6-4-12(5-7-13)25-18-10-16(23-11-24-18)14-2-1-3-17-15(14)8-9-27-17/h1-11H,(H,23,24,25)
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n/an/a 3.74E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196611
PNG
(US9670214, TABLE 16.60)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cccc2[nH]ccc12
Show InChI InChI=1S/C20H15F3N4O/c1-12-18(16-3-2-4-17-15(16)9-10-24-17)25-11-26-19(12)27-13-5-7-14(8-6-13)28-20(21,22)23/h2-11,24H,1H3,(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196612
PNG
(US9670214, TABLE 16.61)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3c4ccccc4oc23)cc1
Show InChI InChI=1S/C23H14F3N3O2/c24-23(25,26)31-15-10-8-14(9-11-15)29-21-12-19(27-13-28-21)18-6-3-5-17-16-4-1-2-7-20(16)30-22(17)18/h1-13H,(H,27,28,29)
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n/an/a 4.60E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196613
PNG
(US9670214, TABLE 16.62)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C21H16F3N5O/c22-21(23,24)30-18-8-6-17(7-9-18)28-20-10-19(25-14-26-20)16-11-27-29(13-16)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,25,26,28)
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n/an/a 1.30E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196614
PNG
(US9670214, TABLE 16.63)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C22H18F3N5O/c1-15-20(17-11-28-30(13-17)12-16-5-3-2-4-6-16)26-14-27-21(15)29-18-7-9-19(10-8-18)31-22(23,24)25/h2-11,13-14H,12H2,1H3,(H,26,27,29)
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n/an/a 8.72E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196615
PNG
(US9670214, TABLE 16.64)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1
Show InChI InChI=1S/C22H14F6N6O2/c23-21(24,25)35-15-5-1-13(2-6-15)33-19-9-17(29-11-31-19)18-10-20(32-12-30-18)34-14-3-7-16(8-4-14)36-22(26,27)28/h1-12H,(H,29,31,33)(H,30,32,34)
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n/an/a 7.00E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196602
PNG
(US9670214, TABLE 16.51 | US9670214, TABLE 16.65)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C21H22F3N7O2/c22-21(23,24)33-16-3-1-15(2-4-16)30-20-12-18(27-14-29-20)17-11-19(28-13-26-17)25-5-6-31-7-9-32-10-8-31/h1-4,11-14H,5-10H2,(H,25,26,28)(H,27,29,30)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196617
PNG
(US9670214, TABLE 16.66)
Show SMILES Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccn1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C28H22F3N7O2/c1-18-7-8-21(36-26(39)19-5-3-2-4-6-19)15-23(18)37-27-32-13-14-38(27)25-16-24(33-17-34-25)35-20-9-11-22(12-10-20)40-28(29,30)31/h2-17H,1H3,(H,32,37)(H,36,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196618
PNG
(US9670214, TABLE 16.67)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(c2)C(F)(F)F)cc1Nc1nccn1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C34H30F6N8O3/c1-21-2-5-25(45-31(49)22-3-4-23(27(16-22)33(35,36)37)19-47-12-14-50-15-13-47)17-28(21)46-32-41-10-11-48(32)30-18-29(42-20-43-30)44-24-6-8-26(9-7-24)51-34(38,39)40/h2-11,16-18,20H,12-15,19H2,1H3,(H,41,46)(H,45,49)(H,42,43,44)
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n/an/a 6.61E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328159
PNG
(6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3cccnc3)c2)cc1
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)30-17-5-3-16(4-6-17)28-19-8-18(25-13-26-19)15-10-27-29(12-15)11-14-2-1-7-24-9-14/h1-10,12-13H,11H2,(H,25,26,28)
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n/an/a 9.00E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328162
PNG
(6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-12-3-1-11(2-4-12)26-16-9-15(24-10-25-16)13-5-7-22-17-14(13)6-8-23-17/h1-10H,(H,22,23)(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196621
PNG
(US9670214, TABLE 16.70)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cc[nH]c(=O)c2)cc1
Show InChI InChI=1S/C16H11F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)23-14-8-13(21-9-22-14)10-5-6-20-15(24)7-10/h1-9H,(H,20,24)(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328163
PNG
(6-(2-methylthiazol-4-yl)-N-(4-(trifluoromethoxy)ph...)
Show SMILES Cc1nc(cs1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196623
PNG
(US9670214, TABLE 16.72)
Show SMILES Fc1ccc(cc1C=O)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H11F4N3O2/c19-15-6-1-11(7-12(15)9-26)16-8-17(24-10-23-16)25-13-2-4-14(5-3-13)27-18(20,21)22/h1-10H,(H,23,24,25)
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n/an/a 5.84E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196624
PNG
(US9670214, TABLE 16.73)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C21H21F3N6O/c1-29-8-10-30(11-9-29)20-12-15(6-7-25-20)18-13-19(27-14-26-18)28-16-2-4-17(5-3-16)31-21(22,23)24/h2-7,12-14H,8-11H2,1H3,(H,26,27,28)
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n/an/a 386n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196625
PNG
(US9670214, TABLE 17.1)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1
Show InChI InChI=1S/C19H12F3N5O3/c20-19(21,22)30-15-6-4-13(5-7-15)24-17-9-18-25-16(10-26(18)11-23-17)12-2-1-3-14(8-12)27(28)29/h1-11,24H
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n/an/a 6.29E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196627
PNG
(US9670214, TABLE 17.3)
Show SMILES FC(F)(F)Oc1ccc(Nc2c(C=O)cnc3n(CCN4CCOCC4)ccc23)c(Br)c1
Show InChI InChI=1S/C21H20BrF3N4O3/c22-17-11-15(32-21(23,24)25)1-2-18(17)27-19-14(13-30)12-26-20-16(19)3-4-29(20)6-5-28-7-9-31-10-8-28/h1-4,11-13H,5-10H2,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM195888
PNG
(US9670214, TABLE 10.1)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)
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DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328199
PNG
(1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo...)
Show SMILES CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H12F3N5O/c1-2-22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)
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n/an/a 7.30E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328129
PNG
(2-ethyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo...)
Show SMILES CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O/c1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,20,21)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM195891
PNG
(US9670214, TABLE 10.4)
Show SMILES CCS(=O)(=O)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H12F3N5O3S/c1-2-26(23,24)22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)25-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)
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n/an/a 3.80E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328201
PNG
(1-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)25-16-15-10-24-26(17(15)23-11-22-16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,22,23,25)
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n/an/a 4.60E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
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n/an/a 6.20E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328198
PNG
(2-(4-(4-(Trifluoromethoxy)phenylamino)-1H-pyrazolo...)
Show SMILES OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)21-12-11-7-20-22(5-6-23)13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,21)
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US Patent
n/an/a 4.20E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328128
PNG
(2-(4-(4-(Trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)20-12-11-7-22(5-6-23)21-13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,20,21)
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328202
PNG
(2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo...)
Show SMILES NC(=O)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)22-12-10-5-21-23(6-11(18)24)13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,22)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328132
PNG
(2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,21,22)
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n/an/a 3.10E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM195898
PNG
(US9670214, TABLE 10.11)
Show SMILES NC(=O)CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)23-13-11-7-22-24(6-5-12(19)25)14(11)21-8-20-13/h1-4,7-8H,5-6H2,(H2,19,25)(H,20,21,23)
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US Patent
n/an/a 4.30E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328123
PNG
(1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluorome...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CC4CCOC4)ncc23)cc1
Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)24-15-14-7-23-25(16(14)22-10-21-15)8-11-5-6-26-9-11/h1-4,7,10-11H,5-6,8-9H2,(H,21,22,24)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM195900
PNG
(US9670214, TABLE 10.13)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(CC4CCOC4)cc23)cc1
Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)23-15-14-8-25(7-11-5-6-26-9-11)24-16(14)22-10-21-15/h1-4,8,10-11H,5-7,9H2,(H,21,22,23,24)
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US Patent
n/an/a 2.36E+3n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196100
PNG
(US9670214, TABLE 10.14)
Show SMILES CN(C)CC(C#N)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C17H16F3N7O/c1-26(2)9-12(7-21)27-16-14(8-24-27)15(22-10-23-16)25-11-3-5-13(6-4-11)28-17(18,19)20/h3-6,8,10,12H,9H2,1-2H3,(H,22,23,25)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair
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