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Compile Data Set for Download or QSAR

Found 202 hits Enz. Inhib. hit(s) with Target = 'BCR/ABL fusion protein isoform X3'   
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)
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)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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 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)
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 300n/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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 1.20E+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 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)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 400n/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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 400n/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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 2.20E+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 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)
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 254n/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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 1.32E+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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 4.34E+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 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)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 346n/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 isoform X3


(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)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 910n/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 isoform X3


(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)
PDB

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US Patent
n/an/a 690n/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 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)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 340n/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 isoform X3


(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)
PDB

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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 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)
PDB

UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
n/an/a 270n/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 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)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 160n/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 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)
PDB

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US Patent
n/an/a 160n/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 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)
PDB

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US Patent
n/an/a 308n/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 isoform X3


(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)
PDB

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US Patent
n/an/a 570n/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 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)
PDB

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US Patent
n/an/a 400n/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 isoform X3


(Human)
BDBM50328133
PNG
(2-benzyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4ccccc4)cc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)25-17-16-11-27(26-18(16)24-12-23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24,25,26)
PDB

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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 isoform X3


(Human)
BDBM196181
PNG
(US9670214, TABLE 10.22)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCc4ccccc4)ncc23)cc1
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-8-6-15(7-9-16)27-18-17-12-26-28(19(17)25-13-24-18)11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,25,27)
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n/an/a 2.60E+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 isoform X3


(Human)
BDBM196182
PNG
(US9670214, TABLE 10.23)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(CCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-8-6-15(7-9-16)26-18-17-12-28(27-19(17)25-13-24-18)11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,25,26,27)
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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 isoform X3


(Human)
BDBM196183
PNG
(US9670214, TABLE 10.24)
Show SMILES Fc1cc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)ccc1C(F)(F)F
Show InChI InChI=1S/C20H12F7N5O/c21-16-7-11(1-6-15(16)19(22,23)24)9-32-18-14(8-30-32)17(28-10-29-18)31-12-2-4-13(5-3-12)33-20(25,26)27/h1-8,10H,9H2,(H,28,29,31)
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n/an/a 1.26E+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 isoform X3


(Human)
BDBM196184
PNG
(US9670214, TABLE 10.25)
Show SMILES Fc1cc(Cn2cc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3n2)ccc1C(F)(F)F
Show InChI InChI=1S/C20H12F7N5O/c21-16-7-11(1-6-15(16)19(22,23)24)8-32-9-14-17(28-10-29-18(14)31-32)30-12-2-4-13(5-3-12)33-20(25,26)27/h1-7,9-10H,8H2,(H,28,29,30,31)
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n/an/a 2.38E+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 isoform X3


(Human)
BDBM196186
PNG
(US9670214, TABLE 10.26)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4cccc(Br)c4)ncc23)cc1
Show InChI InChI=1S/C19H13BrF3N5O/c20-13-3-1-2-12(8-13)10-28-18-16(9-26-28)17(24-11-25-18)27-14-4-6-15(7-5-14)29-19(21,22)23/h1-9,11H,10H2,(H,24,25,27)
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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 isoform X3


(Human)
BDBM196188
PNG
(US9670214, TABLE 10.27)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4cccc(Br)c4)cc23)cc1
Show InChI InChI=1S/C19H13BrF3N5O/c20-13-3-1-2-12(8-13)9-28-10-16-17(24-11-25-18(16)27-28)26-14-4-6-15(7-5-14)29-19(21,22)23/h1-8,10-11H,9H2,(H,24,25,26,27)
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n/an/a 7.20E+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 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/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 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/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 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/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 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/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 isoform X3


(Human)
BDBM196220
PNG
(US9670214, TABLE 10.32)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccn4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-6-4-12(5-7-14)26-16-15-9-25-27(17(15)24-11-23-16)10-13-3-1-2-8-22-13/h1-9,11H,10H2,(H,23,24,26)
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n/an/a 4.84E+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 isoform X3


(Human)
BDBM50328125
PNG
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)
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n/an/a 824n/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 isoform X3


(Human)
BDBM196222
PNG
(US9670214, TABLE 10.34)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4C(=O)c5ccccc5C4=O)ncc23)cc1
Show InChI InChI=1S/C22H15F3N6O3/c23-22(24,25)34-14-7-5-13(6-8-14)29-18-17-11-28-31(19(17)27-12-26-18)10-9-30-20(32)15-3-1-2-4-16(15)21(30)33/h1-8,11-12H,9-10H2,(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 isoform X3


(Human)
BDBM196223
PNG
(US9670214, TABLE 10.35)
Show SMILES NCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H13F3N6O/c15-14(16,17)24-10-3-1-9(2-4-10)22-12-11-7-21-23(6-5-18)13(11)20-8-19-12/h1-4,7-8H,5-6,18H2,(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 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/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 isoform X3


(Human)
BDBM196231
PNG
(US9670214, TABLE 10.37)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)-c2cc(ccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F6N6O/c19-17(20,21)10-5-6-25-14(7-10)30-8-13-15(26-9-27-16(13)29-30)28-11-1-3-12(4-2-11)31-18(22,23)24/h1-9H,(H,26,27,28,29)
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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 isoform X3


(Human)
BDBM196232
PNG
(US9670214, TABLE 10.38)
Show SMILES Cc1cccc(c1C)-n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C20H16F3N5O/c1-12-4-3-5-17(13(12)2)28-19-16(10-26-28)18(24-11-25-19)27-14-6-8-15(9-7-14)29-20(21,22)23/h3-11H,1-2H3,(H,24,25,27)
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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 isoform X3


(Human)
BDBM196236
PNG
(US9670214, TABLE 10.39)
Show SMILES Cc1cccc(c1C)-n1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C20H16F3N5O/c1-12-4-3-5-17(13(12)2)28-10-16-18(24-11-25-19(16)27-28)26-14-6-8-15(9-7-14)29-20(21,22)23/h3-11H,1-2H3,(H,24,25,26,27)
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n/an/a 487n/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 isoform X3


(Human)
BDBM196237
PNG
(US9670214, TABLE 10.40)
Show SMILES Fc1ccccc1-n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C18H11F4N5O/c19-14-3-1-2-4-15(14)27-17-13(9-25-27)16(23-10-24-17)26-11-5-7-12(8-6-11)28-18(20,21)22/h1-10H,(H,23,24,26)
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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 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/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 isoform X3


(Human)
BDBM196240
PNG
(US9670214, TABLE 10.42)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H10Cl2F3N5O/c19-10-1-6-15(14(20)7-10)28-17-13(8-26-28)16(24-9-25-17)27-11-2-4-12(5-3-11)29-18(21,22)23/h1-9H,(H,24,25,27)
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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 isoform X3


(Human)
BDBM196242
PNG
(US9670214, TABLE 10.43)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H10Cl2F3N5O/c19-10-1-6-15(14(20)7-10)28-8-13-16(24-9-25-17(13)27-28)26-11-2-4-12(5-3-11)29-18(21,22)23/h1-9H,(H,24,25,26,27)
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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 3.37E+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 isoform X3


(Human)
BDBM196244
PNG
(US9670214, TABLE 10.44)
Show SMILES CCc1ccccc1-n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C20H16F3N5O/c1-2-13-5-3-4-6-17(13)28-19-16(11-26-28)18(24-12-25-19)27-14-7-9-15(10-8-14)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,25,27)
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 2.49E+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 isoform X3


(Human)
BDBM196247
PNG
(US9670214, TABLE 10.45)
Show SMILES CCc1ccccc1-n1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C20H16F3N5O/c1-2-13-5-3-4-6-17(13)28-11-16-18(24-12-25-19(16)27-28)26-14-7-9-15(10-8-14)29-20(21,22)23/h3-12H,2H2,1H3,(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

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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 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)
PDB

UniProtKB/TrEMBL

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PC cid
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US Patent
n/an/a 246n/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 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)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 195n/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 isoform X3


(Human)
BDBM196253
PNG
(US9670214, TABLE 10.48)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C18H13F3N6O3S/c19-18(20,21)30-13-6-4-11(5-7-13)26-16-15-9-25-27(17(15)24-10-23-16)12-2-1-3-14(8-12)31(22,28)29/h1-10H,(H2,22,28,29)(H,23,24,26)
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 6.66E+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 isoform X3


(Human)
BDBM196254
PNG
(US9670214, TABLE 11.1)
Show SMILES Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C13H10F3N5O/c1-21-12-10(6-19-21)11(17-7-18-12)20-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,18,20)
PDB

UniProtKB/TrEMBL

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PC cid
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UniChem
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 isoform X3


(Human)
BDBM196255
PNG
(US9670214, TABLE 11.2)
Show SMILES Cn1cnc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C13H10F3N5O/c1-21-7-19-11-10(21)12(18-6-17-11)20-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,18,20)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 7.69E+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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