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Compile Data Set for Download or QSAR

Found 202 hits Enz. Inhib. hit(s) 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))
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))
BDBM50328121
PNG
(1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4cccnc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-2-1-7-22-8-12/h1-9,11H,10H2,(H,23,24,26)
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n/an/a 600n/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))
BDBM50328135
PNG
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
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n/an/a 600n/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))
BDBM196297
PNG
(US9670214, TABLE 13.9)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)NC2CCN(Cc3ccccc3)C2)cc1
Show InChI InChI=1S/C25H22F3N5O2S/c26-25(27,28)35-19-8-6-17(7-9-19)31-22-20-12-21(36-24(20)30-15-29-22)23(34)32-18-10-11-33(14-18)13-16-4-2-1-3-5-16/h1-9,12,15,18H,10-11,13-14H2,(H,32,34)(H,29,30,31)
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n/an/a 621n/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))
BDBM196573
PNG
(US9670214, TABLE 16.22)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H26F3N5O3/c1-17-22(30-16-31-23(17)32-20-6-8-21(9-7-20)36-25(26,27)28)18-2-4-19(5-3-18)24(34)29-10-11-33-12-14-35-15-13-33/h2-9,16H,10-15H2,1H3,(H,29,34)(H,30,31,32)
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n/an/a 810n/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))
BDBM196531
PNG
(US9670214, TABLE 14.10)
Show SMILES COC1CCN(CC1)C(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-16-8-10-29(11-9-16)21(30)14-2-7-18-19(12-14)26-13-27-20(18)28-15-3-5-17(6-4-15)32-22(23,24)25/h2-7,12-13,16H,8-11H2,1H3,(H,26,27,28)
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n/an/a 895n/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))
BDBM50328151
PNG
(4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-5-3-12(4-6-13)24-16-9-15(22-10-23-16)11-1-7-14(8-2-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)
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n/an/a 1.05E+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))
BDBM196304
PNG
(US9670214, TABLE 13.10)
Show SMILES OC[C@@H]1CCCN1C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H17F3N4O3S/c20-19(21,22)29-13-5-3-11(4-6-13)25-16-14-8-15(30-17(14)24-10-23-16)18(28)26-7-1-2-12(26)9-27/h3-6,8,10,12,27H,1-2,7,9H2,(H,23,24,25)/t12-/m0/s1
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n/an/a 1.21E+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))
BDBM50328138
PNG
((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
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n/an/a 1.25E+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))
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))
BDBM50328134
PNG
(2-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4cccnc4)cc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)25-16-15-10-27(26-17(15)24-11-23-16)9-12-2-1-7-22-8-12/h1-8,10-11H,9H2,(H,23,24,25,26)
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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))
BDBM196563
PNG
(US9670214, TABLE 16.12)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C22H21F3N4O3S/c23-22(24,25)32-18-8-6-17(7-9-18)28-21-14-20(26-15-27-21)16-4-10-19(11-5-16)33(30,31)29-12-2-1-3-13-29/h4-11,14-15H,1-3,12-13H2,(H,26,27,28)
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n/an/a 1.41E+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))
BDBM196556
PNG
(US9670214, TABLE 16.5)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C19H17F3N4O4S/c20-19(21,22)30-15-5-3-14(4-6-15)26-18-11-17(23-12-24-18)13-1-7-16(8-2-13)31(28,29)25-9-10-27/h1-8,11-12,25,27H,9-10H2,(H,23,24,26)
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n/an/a 1.45E+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))
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))
BDBM196197
PNG
(US9670214, TABLE 10.29)
Show SMILES Oc1cccc(Cn2cc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3n2)c1
Show InChI InChI=1S/C19H14F3N5O2/c20-19(21,22)29-15-6-4-13(5-7-15)25-17-16-10-27(26-18(16)24-11-23-17)9-12-2-1-3-14(28)8-12/h1-8,10-11,28H,9H2,(H,23,24,25,26)
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n/an/a 1.50E+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))
BDBM196167
PNG
(US9670214, TABLE 10.15)
Show SMILES CCCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-15-13(9-22-24)14(20-10-21-15)23-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)
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n/an/a 1.50E+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))
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))
BDBM196412
PNG
(US9670214, TABLE 14.6)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3cc(ccc23)C(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H14F6N4O2/c24-22(25,26)14-2-1-3-16(11-14)33-21(34)13-4-9-18-19(10-13)30-12-31-20(18)32-15-5-7-17(8-6-15)35-23(27,28)29/h1-12H,(H,33,34)(H,30,31,32)
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n/an/a 1.56E+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))
BDBM196571
PNG
(US9670214, TABLE 16.20)
Show SMILES CCCC(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C22H23F3N4O3S/c1-3-4-15(2)33(30,31)29-18-7-5-16(6-8-18)20-13-21(27-14-26-20)28-17-9-11-19(12-10-17)32-22(23,24)25/h5-15,29H,3-4H2,1-2H3,(H,26,27,28)
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n/an/a 1.66E+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))
BDBM196574
PNG
(US9670214, TABLE 16.23)
Show SMILES COCCCNC(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C23H23F3N4O3/c1-15-20(16-4-6-17(7-5-16)22(31)27-12-3-13-32-2)28-14-29-21(15)30-18-8-10-19(11-9-18)33-23(24,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,27,31)(H,28,29,30)
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n/an/a 1.85E+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))
BDBM196555
PNG
(US9670214, TABLE 16.4)
Show SMILES CCNS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C19H17F3N4O3S/c1-2-25-30(27,28)16-9-3-13(4-10-16)17-11-18(24-12-23-17)26-14-5-7-15(8-6-14)29-19(20,21)22/h3-12,25H,2H2,1H3,(H,23,24,26)
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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))
BDBM196402
PNG
(US9670214, TABLE 14.1)
Show SMILES COC(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
Show InChI InChI=1S/C17H12F3N3O3/c1-25-16(24)10-2-7-13-14(8-10)21-9-22-15(13)23-11-3-5-12(6-4-11)26-17(18,19)20/h2-9H,1H3,(H,21,22,23)
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n/an/a 1.91E+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))
BDBM196341
PNG
(US9670214, TABLE 13.13)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F6N5O2S/c26-24(27,28)15-2-1-3-17(12-15)35-8-10-36(11-9-35)23(37)20-13-19-21(32-14-33-22(19)39-20)34-16-4-6-18(7-5-16)38-25(29,30)31/h1-7,12-14H,8-11H2,(H,32,33,34)
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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))
BDBM196196
PNG
(US9670214, TABLE 10.28)
Show SMILES Oc1cccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)c1
Show InChI InChI=1S/C19H14F3N5O2/c20-19(21,22)29-15-6-4-13(5-7-15)26-17-16-9-25-27(18(16)24-11-23-17)10-12-2-1-3-14(28)8-12/h1-9,11,28H,10H2,(H,23,24,26)
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n/an/a 2.03E+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))
BDBM196269
PNG
(US9670214, TABLE 12.11)
Show SMILES CC(C)C(CCO)NC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C22H26F3N5O3/c1-14(2)18(9-12-31)29-19(32)8-11-30-10-7-17-20(26-13-27-21(17)30)28-15-3-5-16(6-4-15)33-22(23,24)25/h3-7,10,13-14,18,31H,8-9,11-12H2,1-2H3,(H,29,32)(H,26,27,28)
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n/an/a 2.07E+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))
BDBM196398
PNG
(US9670214, TABLE 13.18)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)NC(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H12F6N4O3S/c23-21(24,25)12-3-1-2-11(8-12)18(33)32-19(34)16-9-15-17(29-10-30-20(15)36-16)31-13-4-6-14(7-5-13)35-22(26,27)28/h1-10H,(H,29,30,31)(H,32,33,34)
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n/an/a 2.10E+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))
BDBM196554
PNG
(US9670214, TABLE 16.3)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C19H17F3N4O3S/c1-12-17(13-3-9-16(10-4-13)30(27,28)23-2)24-11-25-18(12)26-14-5-7-15(8-6-14)29-19(20,21)22/h3-11,23H,1-2H3,(H,24,25,26)
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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))
BDBM196568
PNG
(US9670214, TABLE 16.17)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C19H17F3N4O3S/c1-2-30(27,28)26-15-5-3-13(4-6-15)17-11-18(24-12-23-17)25-14-7-9-16(10-8-14)29-19(20,21)22/h3-12,26H,2H2,1H3,(H,23,24,25)
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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))
BDBM196570
PNG
(US9670214, TABLE 16.19)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C20H19F3N4O3S/c1-13(2)31(28,29)27-16-5-3-14(4-6-16)18-11-19(25-12-24-18)26-15-7-9-17(10-8-15)30-20(21,22)23/h3-13,27H,1-2H3,(H,24,25,26)
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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))
BDBM50328188
PNG
(CHEMBL1257540 | US9670214, TABLE 13.11 | piperazin...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)N2CCNCC2)cc1
Show InChI InChI=1S/C18H16F3N5O2S/c19-18(20,21)28-12-3-1-11(2-4-12)25-15-13-9-14(29-16(13)24-10-23-15)17(27)26-7-5-22-6-8-26/h1-4,9-10,22H,5-8H2,(H,23,24,25)
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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))
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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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))
BDBM196173
PNG
(US9670214, TABLE 10.16)
Show SMILES CCCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-9-13-14(20-10-21-15(13)23-24)22-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,22,23)
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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))
BDBM196176
PNG
(US9670214, TABLE 10.19)
Show SMILES FC(F)(F)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-5-10-11(21-7-22-12(10)24-25)23-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,23,24)
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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))
BDBM50328124
PNG
(1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...)
Show SMILES CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
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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))
BDBM196566
PNG
(US9670214, TABLE 16.15)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C21H19F3N4O4S/c22-21(23,24)32-17-5-3-16(4-6-17)27-20-13-19(25-14-26-20)15-1-7-18(8-2-15)33(29,30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2,(H,25,26,27)
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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))
BDBM196262
PNG
(US9670214, TABLE 12.4)
Show SMILES OCCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)24-11-3-1-10(2-4-11)21-13-12-5-6-22(7-8-23)14(12)20-9-19-13/h1-6,9,23H,7-8H2,(H,19,20,21)
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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))
BDBM196569
PNG
(US9670214, TABLE 16.18)
Show SMILES CCCCS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C21H21F3N4O3S/c1-2-3-12-32(29,30)28-17-6-4-15(5-7-17)19-13-20(26-14-25-19)27-16-8-10-18(11-9-16)31-21(22,23)24/h4-11,13-14,28H,2-3,12H2,1H3,(H,25,26,27)
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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))
BDBM196175
PNG
(US9670214, TABLE 10.18)
Show SMILES FC(F)(F)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-12-10(5-23-25)11(21-7-22-12)24-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,24)
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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))
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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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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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))
BDBM196268
PNG
(US9670214, TABLE 12.10)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCC(=O)NCCN4CCOCC4)ccc23)cc1
Show InChI InChI=1S/C22H25F3N6O3/c23-22(24,25)34-17-3-1-16(2-4-17)29-20-18-5-8-31(21(18)28-15-27-20)9-6-19(32)26-7-10-30-11-13-33-14-12-30/h1-5,8,15H,6-7,9-14H2,(H,26,32)(H,27,28,29)
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n/an/a 3.14E+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))
BDBM196410
PNG
(US9670214, TABLE 14.4)
Show SMILES CCN(CC)C(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
Show InChI InChI=1S/C20H19F3N4O2/c1-3-27(4-2)19(28)13-5-10-16-17(11-13)24-12-25-18(16)26-14-6-8-15(9-7-14)29-20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 3.17E+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))
BDBM196578
PNG
(US9670214, TABLE 16.27)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)30-20-12-10-19(11-13-20)29-22-14-21(27-15-28-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,27,28,29)
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n/an/a 3.18E+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))
BDBM196590
PNG
(US9670214, TABLE 16.39)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(Nc3cc([nH]n3)C3CC3)ncn2)cc1
Show InChI InChI=1S/C17H15F3N6O/c18-17(19,20)27-12-5-3-11(4-6-12)23-14-8-15(22-9-21-14)24-16-7-13(25-26-16)10-1-2-10/h3-10H,1-2H2,(H3,21,22,23,24,25,26)
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n/an/a 3.27E+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))
BDBM196582
PNG
(US9670214, TABLE 16.31)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(CC#N)c2)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-16-6-4-15(5-7-16)26-18-11-17(24-12-25-18)14-3-1-2-13(10-14)8-9-23/h1-7,10-12H,8H2,(H,24,25,26)
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n/an/a 3.39E+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))
BDBM196252
PNG
(US9670214, TABLE 10.47)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)-c2ccccn2)cc1
Show InChI InChI=1S/C17H11F3N6O/c18-17(19,20)27-12-6-4-11(5-7-12)24-15-13-9-26(14-3-1-2-8-21-14)25-16(13)23-10-22-15/h1-10H,(H,22,23,24,25)
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n/an/a 3.53E+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))
BDBM50328184
PNG
((4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]p...)
Show SMILES OCc1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C14H10F3N3O2S/c15-14(16,17)22-9-3-1-8(2-4-9)20-12-11-5-10(6-21)23-13(11)19-7-18-12/h1-5,7,21H,6H2,(H,18,19,20)
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n/an/a 3.70E+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
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