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Patent code US9670214

Compile Data Set for Download or QSAR

Found 404 hits of Enzyme Inhibition Constant Data   
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 isoform X3


(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 30n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 40n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 48n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 49n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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/a 90n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 100n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 116n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 120n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 122n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 140n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 140n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 150n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 150n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 160n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 160n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 160n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 160n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 166n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 170n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 190n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM196238
PNG
(US9670214, TABLE 10.41)
Show SMILES Fc1ccccc1-n1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C18H11F4N5O/c19-14-3-1-2-4-15(14)27-9-13-16(23-10-24-17(13)26-27)25-11-5-7-12(8-6-11)28-18(20,21)22/h1-10H,(H,23,24,25,26)
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n/an/a 194n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 195n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 196n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 210n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 210n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 214n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 220n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 240n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 240n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM196277
PNG
(US9670214, TABLE 12.19)
Show SMILES Cn1c(CO)cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C15H13F3N4O2/c1-22-10(7-23)6-12-13(19-8-20-14(12)22)21-9-2-4-11(5-3-9)24-15(16,17)18/h2-6,8,23H,7H2,1H3,(H,19,20,21)
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n/an/a 245n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM196248
PNG
(US9670214, TABLE 10.46)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)-c2ccccn2)cc1
Show InChI InChI=1S/C17H11F3N6O/c18-17(19,20)27-12-6-4-11(5-7-12)25-15-13-9-24-26(16(13)23-10-22-15)14-3-1-2-8-21-14/h1-10H,(H,22,23,25)
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n/an/a 246n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 254n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM196557
PNG
(US9670214, TABLE 16.6)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H14F3N3O3S/c1-28(25,26)15-8-2-12(3-9-15)16-10-17(23-11-22-16)24-13-4-6-14(7-5-13)27-18(19,20)21/h2-11H,1H3,(H,22,23,24)
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n/an/a 260n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 270n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 270n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 290n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 290n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 300n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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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n/an/a 308n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 330n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 340n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 346n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 360n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 360n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM50328194
PNG
(7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1
Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)29-15-3-1-14(2-4-15)25-17-16-5-6-27(18(16)24-13-23-17)8-7-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24,25)
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n/an/a 380n/an/an/an/an/an/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...


Citation and Details
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/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM196226
PNG
(US9670214, TABLE 10.36)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)-c2cc(ccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F6N6O/c19-17(20,21)10-5-6-25-14(7-10)30-16-13(8-28-30)15(26-9-27-16)29-11-1-3-12(4-2-11)31-18(22,23)24/h1-9H,(H,26,27,29)
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n/an/a 397n/an/an/an/an/an/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...


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More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 400n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(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 400n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
BCR/ABL fusion protein isoform X3


(Human)
BDBM50328120
PNG
(1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)
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n/an/a 400n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%