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Patent code US9315489

Compile Data Set for Download or QSAR
Found 98 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
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222511
PNG
(US9315489, 47)
Show SMILES CC(C)(C#N)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N5O2/c1-20(2,11-25)18-17(14-8-26-12-27-9-14)7-13(10-28-18)19(30)29-15-3-5-16(6-4-15)31-21(22,23)24/h3-10,12H,1-2H3,(H,29,30)
PDB

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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222531
PNG
(US9315489, 67)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H19ClF2N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222532
PNG
(US9315489, 68)
Show SMILES COC(=O)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H14F3N3O4/c1-29-19(28)16-7-2-12(8-17(16)13-9-24-11-25-10-13)18(27)26-14-3-5-15(6-4-14)30-20(21,22)23/h2-11H,1H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222472
PNG
(US9315489, 8)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-n2ccnc2)cc1
Show InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)25-15-6-4-13(5-7-15)22-16(24)12-2-1-3-14(10-12)23-9-8-21-11-23/h1-11H,(H,22,24)
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US Patent
n/an/a 1.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222507
PNG
(US9315489, 43)
Show SMILES Cc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O2/c1-11-16(13-7-22-10-23-8-13)6-12(9-24-11)17(26)25-14-2-4-15(5-3-14)27-18(19,20)21/h2-10H,1H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222540
PNG
(US9315489, 76)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H10Cl2F2N4O2/c18-15-14(11-6-22-9-23-7-11)5-10(8-24-15)16(26)25-12-1-3-13(4-2-12)27-17(19,20)21/h1-9H,(H,25,26)
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US Patent
n/an/a 2.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222507
PNG
(US9315489, 43)
Show SMILES Cc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O2/c1-11-16(13-7-22-10-23-8-13)6-12(9-24-11)17(26)25-14-2-4-15(5-3-14)27-18(19,20)21/h2-10H,1H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222494
PNG
(US9315489, 30)
Show SMILES COc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3N3O3/c1-27-17-7-2-12(8-16(17)13-9-23-11-24-10-13)18(26)25-14-3-5-15(6-4-14)28-19(20,21)22/h2-11H,1H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222488
PNG
(US9315489, 24)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(Cl)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C18H11ClF3N3O2/c19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22/h1-10H,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222481
PNG
(US9315489, 17)
Show SMILES Cc1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N2O2S/c1-11-2-3-12(8-15(11)16-9-22-10-26-16)17(24)23-13-4-6-14(7-5-13)25-18(19,20)21/h2-10H,1H3,(H,23,24)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222504
PNG
(US9315489, 40)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(OCCN3CCCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)34-20-6-4-19(5-7-20)30-23(32)17-3-8-22(33-12-11-31-9-1-2-10-31)21(13-17)18-14-28-16-29-15-18/h3-8,13-16H,1-2,9-12H2,(H,30,32)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222532
PNG
(US9315489, 68)
Show SMILES COC(=O)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H14F3N3O4/c1-29-19(28)16-7-2-12(8-17(16)13-9-24-11-25-10-13)18(27)26-14-3-5-15(6-4-14)30-20(21,22)23/h2-11H,1H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222502
PNG
(US9315489, 38)
Show SMILES OCCOc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14/h1-6,9-12,27H,7-8H2,(H,26,28)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222471
PNG
(US9315489, 7)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2ccc(CN3CCCC3)s2)cc1
Show InChI InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-19-8-6-18(7-9-19)27-22(29)17-5-3-4-16(14-17)21-11-10-20(31-21)15-28-12-1-2-13-28/h3-11,14H,1-2,12-13,15H2,(H,27,29)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222477
PNG
(US9315489, 13)
Show SMILES COc1ncc(cn1)-c1cc(ccc1C)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O3/c1-12-3-4-13(9-17(12)14-10-24-19(28-2)25-11-14)18(27)26-15-5-7-16(8-6-15)29-20(21,22)23/h3-11H,1-2H3,(H,26,27)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222533
PNG
(US9315489, 69)
Show SMILES COc1ncc(cn1)-c1cc(ccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O3/c1-27-17-23-9-12(10-24-17)15-8-11(6-7-22-15)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21/h2-10H,1H3,(H,25,26)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222509
PNG
(US9315489, 45)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(C3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-3-1-17(2-4-18)29-21(30)15-9-19(16-10-26-13-27-11-16)20(28-12-15)14-5-7-31-8-6-14/h1-4,9-14H,5-8H2,(H,29,30)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222503
PNG
(US9315489, 39)
Show SMILES CC(C)CN1CCN(CCOc2ccc(cc2-c2cncnc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C28H32F3N5O3/c1-20(2)18-36-11-9-35(10-12-36)13-14-38-26-8-3-21(15-25(26)22-16-32-19-33-17-22)27(37)34-23-4-6-24(7-5-23)39-28(29,30)31/h3-8,15-17,19-20H,9-14,18H2,1-2H3,(H,34,37)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222475
PNG
(US9315489, 11)
Show SMILES FC(F)(F)Sc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C18H12F3N3OS/c19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14/h1-11H,(H,24,25)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222513
PNG
(US9315489, 49)
Show SMILES COc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O3/c1-27-17-15(12-7-22-10-23-8-12)6-11(9-24-17)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21/h2-10H,1H3,(H,25,26)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222469
PNG
(US9315489, 5)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cnccn2)cc1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)26-15-6-4-14(5-7-15)24-17(25)13-3-1-2-12(10-13)16-11-22-8-9-23-16/h1-11H,(H,24,25)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222495
PNG
(US9315489, 31)
Show SMILES COc1ccc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H15F3N2O3/c1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23/h2-12H,1H3,(H,25,26)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222482
PNG
(US9315489, 18)
Show SMILES Fc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H11F4N3O2/c19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22/h1-10H,(H,25,26)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222470
PNG
(US9315489, 6)
Show SMILES COC(=O)c1cc(cs1)-c1cccc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H14F3NO4S/c1-27-19(26)17-10-14(11-29-17)12-3-2-4-13(9-12)18(25)24-15-5-7-16(8-6-15)28-20(21,22)23/h2-11H,1H3,(H,24,25)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222496
PNG
(US9315489, 32)
Show SMILES COc1ccc(cc1-c1ccc(F)nc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H14F4N2O3/c1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24/h2-11H,1H3,(H,26,27)
PDB

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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222500
PNG
(US9315489, 36)
Show SMILES COc1ccc(cc1-c1ccc(s1)C(C)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3NO4S/c1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24/h3-11H,1-2H3,(H,25,27)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222465
PNG
(US9315489, 1)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14/h1-11H,(H,24,25)
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All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222478
PNG
(US9315489, 14)
Show SMILES Cc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3N3O2/c1-12-2-3-13(8-17(12)14-9-23-11-24-10-14)18(26)25-15-4-6-16(7-5-15)27-19(20,21)22/h2-11H,1H3,(H,25,26)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222525
PNG
(US9315489, 61)
Show SMILES Nc1ncc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H12F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)25-15(26)11-5-10(6-22-7-11)12-8-23-16(21)24-9-12/h1-9H,(H,25,26)(H2,21,23,24)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222501
PNG
(US9315489, 37)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(OCCN3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31/h1-6,13-16H,7-12H2,(H,30,32)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222531
PNG
(US9315489, 67)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H19ClF2N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)
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All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222542
PNG
(US9315489, 78)
Show SMILES Fc1cncc(c1)-c1cc(cnc1Cl)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C18H10Cl2F3N3O2/c19-16-15(10-5-12(21)9-24-7-10)6-11(8-25-16)17(27)26-13-1-3-14(4-2-13)28-18(20,22)23/h1-9H,(H,26,27)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222467
PNG
(US9315489, 3)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncc(c2)C#N)cc1
Show InChI InChI=1S/C20H12F3N3O2/c21-20(22,23)28-18-6-4-17(5-7-18)26-19(27)15-3-1-2-14(9-15)16-8-13(10-24)11-25-12-16/h1-9,11-12H,(H,26,27)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222479
PNG
(US9315489, 15)
Show SMILES Cc1ccc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H15F3N2O2/c1-13-4-5-14(11-18(13)15-3-2-10-24-12-15)19(26)25-16-6-8-17(9-7-16)27-20(21,22)23/h2-12H,1H3,(H,25,26)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222480
PNG
(US9315489, 16)
Show SMILES Cc1ccc(cc1-n1ccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H14F3N3O2/c1-12-2-3-13(10-16(12)24-9-8-22-11-24)17(25)23-14-4-6-15(7-5-14)26-18(19,20)21/h2-11H,1H3,(H,23,25)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222514
PNG
(US9315489, 50)
Show SMILES OCCNCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O4/c22-21(23,24)33-17-3-1-16(2-4-17)29-19(31)14-9-18(15-10-26-13-27-11-15)20(28-12-14)32-8-6-25-5-7-30/h1-4,9-13,25,30H,5-8H2,(H,29,31)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222493
PNG
(US9315489, 29)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(Cl)c(c2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C17H11ClF3N3O2/c18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h1-9H,(H,22,24)(H,23,25)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222541
PNG
(US9315489, 77)
Show SMILES Fc1cncc(c1)-c1cc(cnc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H10ClF4N3O2/c19-16-15(10-5-12(20)9-24-7-10)6-11(8-25-16)17(27)26-13-1-3-14(4-2-13)28-18(21,22)23/h1-9H,(H,26,27)
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All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222529
PNG
(US9315489, 65)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2ncc[nH]2)cc1
Show InChI InChI=1S/C16H10ClF3N4O2/c17-13-12(14-21-5-6-22-14)7-9(8-23-13)15(25)24-10-1-3-11(4-2-10)26-16(18,19)20/h1-8H,(H,21,22)(H,24,25)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222465
PNG
(US9315489, 1)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14/h1-11H,(H,24,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222508
PNG
(US9315489, 44)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(C3=CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H17F3N4O3/c23-22(24,25)32-18-3-1-17(2-4-18)29-21(30)15-9-19(16-10-26-13-27-11-16)20(28-12-15)14-5-7-31-8-6-14/h1-5,9-13H,6-8H2,(H,29,30)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222512
PNG
(US9315489, 48)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(c(c2)-c2cncnc2)C2(CCC2)C#N)cc1
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)32-17-4-2-16(3-5-17)30-20(31)14-8-18(15-9-27-13-28-10-15)19(29-11-14)21(12-26)6-1-7-21/h2-5,8-11,13H,1,6-7H2,(H,30,31)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222466
PNG
(US9315489, 2)
Show SMILES OCCOc1ncc(cn1)-c1cccc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O4/c21-20(22,23)30-17-6-4-16(5-7-17)26-18(28)14-3-1-2-13(10-14)15-11-24-19(25-12-15)29-9-8-27/h1-7,10-12,27H,8-9H2,(H,26,28)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222510
PNG
(US9315489, 46)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(c(c2)-c2cncnc2)C2(CCOCC2)C#N)cc1
Show InChI InChI=1S/C23H18F3N5O3/c24-23(25,26)34-18-3-1-17(2-4-18)31-21(32)15-9-19(16-10-28-14-29-11-16)20(30-12-15)22(13-27)5-7-33-8-6-22/h1-4,9-12,14H,5-8H2,(H,31,32)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222506
PNG
(US9315489, 42)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cncc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-17(19,20)26-15-3-1-14(2-4-15)24-16(25)12-5-11(6-21-7-12)13-8-22-10-23-9-13/h1-10H,(H,24,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222468
PNG
(US9315489, 4)
Show SMILES Nc1cnc(cn1)-c1cccc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-17(26)12-3-1-2-11(8-12)15-9-24-16(22)10-23-15/h1-10H,(H2,22,24)(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222489
PNG
(US9315489, 25)
Show SMILES COc1ncc(cn1)-c1cc(ccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13ClF3N3O3/c1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23/h2-10H,1H3,(H,26,27)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222478
PNG
(US9315489, 14)
Show SMILES Cc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3N3O2/c1-12-2-3-13(8-17(12)14-9-23-11-24-10-14)18(26)25-15-4-6-16(7-5-15)27-19(20,21)22/h2-11H,1H3,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222538
PNG
(US9315489, 74)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cncc(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)26-16-5-3-15(4-6-16)24-17(25)14-8-13(10-23-11-14)12-2-1-7-22-9-12/h1-11H,(H,24,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222497
PNG
(US9315489, 33)
Show SMILES COc1ccc(cc1-c1ccncc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H15F3N2O3/c1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23/h2-12H,1H3,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222517
PNG
(US9315489, 53)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222512
PNG
(US9315489, 48)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(c(c2)-c2cncnc2)C2(CCC2)C#N)cc1
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)32-17-4-2-16(3-5-17)30-20(31)14-8-18(15-9-27-13-28-10-15)19(29-11-14)21(12-26)6-1-7-21/h2-5,8-11,13H,1,6-7H2,(H,30,31)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222530
PNG
(US9315489, 66)
Show SMILES CC(C)(O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3N4O3/c1-19(2,29)17-16(13-8-24-11-25-9-13)7-12(10-26-17)18(28)27-14-3-5-15(6-4-14)30-20(21,22)23/h3-11,29H,1-2H3,(H,27,28)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222522
PNG
(US9315489, 58)
Show SMILES CCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4O3/c1-2-28-18-16(13-8-23-11-24-9-13)7-12(10-25-18)17(27)26-14-3-5-15(6-4-14)29-19(20,21)22/h3-11H,2H2,1H3,(H,26,27)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222474
PNG
(US9315489, 10)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C18H12ClF2N3O2/c19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14/h1-11H,(H,24,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222520
PNG
(US9315489, 56)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H10ClF3N4O2/c18-15-14(11-6-22-9-23-7-11)5-10(8-24-15)16(26)25-12-1-3-13(4-2-12)27-17(19,20)21/h1-9H,(H,25,26)
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All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222499
PNG
(US9315489, 35)
Show SMILES COc1ccc(cc1-c1ccc2OCOc2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H16F3NO5/c1-28-18-8-3-14(10-17(18)13-2-9-19-20(11-13)30-12-29-19)21(27)26-15-4-6-16(7-5-15)31-22(23,24)25/h2-11H,12H2,1H3,(H,26,27)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222520
PNG
(US9315489, 56)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H10ClF3N4O2/c18-15-14(11-6-22-9-23-7-11)5-10(8-24-15)16(26)25-12-1-3-13(4-2-12)27-17(19,20)21/h1-9H,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222543
PNG
(US9315489, 79)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C18H11ClF3N3O2/c19-16-15(11-2-1-7-23-9-11)8-12(10-24-16)17(26)25-13-3-5-14(6-4-13)27-18(20,21)22/h1-10H,(H,25,26)
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All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222483
PNG
(US9315489, 19)
Show SMILES COc1ncc(cn1)-c1cc(ccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13F4N3O3/c1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23/h2-10H,1H3,(H,26,27)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222534
PNG
(US9315489, 70)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-17(19,20)26-14-3-1-13(2-4-14)24-16(25)11-5-6-23-15(7-11)12-8-21-10-22-9-12/h1-10H,(H,24,25)
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For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222484
PNG
(US9315489, 20)
Show SMILES Fc1ccc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H12F4N2O2/c20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23/h1-11H,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222505
PNG
(US9315489, 41)
Show SMILES Oc1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H12F3N3O3/c19-18(20,21)27-14-4-2-13(3-5-14)24-17(26)11-1-6-16(25)15(7-11)12-8-22-10-23-9-12/h1-10,25H,(H,24,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222490
PNG
(US9315489, 26)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(Cl)c(c2)-c2cccnc2)cc1
Show InChI InChI=1S/C19H12ClF3N2O2/c20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23/h1-11H,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222498
PNG
(US9315489, 34)
Show SMILES COc1ccc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H14F3N3O3/c1-26-16-7-2-11(10-14(16)15-8-9-22-24-15)17(25)23-12-3-5-13(6-4-12)27-18(19,20)21/h2-10H,1H3,(H,22,24)(H,23,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222523
PNG
(US9315489, 59)
Show SMILES Fc1ccc(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cncnc1
Show InChI InChI=1S/C18H11F4N3O2/c19-16-6-1-11(12-8-23-10-24-9-12)7-15(16)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22/h1-10H,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222517
PNG
(US9315489, 53)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222521
PNG
(US9315489, 57)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(c(c2)-c2cncnc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F6N4O2/c19-17(20,21)15-14(11-6-25-9-26-7-11)5-10(8-27-15)16(29)28-12-1-3-13(4-2-12)30-18(22,23)24/h1-9H,(H,28,29)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222473
PNG
(US9315489, 9)
Show SMILES Fc1cc(NC(=O)c2cccc(c2)-c2cncnc2)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H11F4N3O2/c19-15-7-14(4-5-16(15)27-18(20,21)22)25-17(26)12-3-1-2-11(6-12)13-8-23-10-24-9-13/h1-10H,(H,25,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222516
PNG
(US9315489, 52)
Show SMILES OCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4O4/c20-19(21,22)30-15-3-1-14(2-4-15)26-17(28)12-7-16(13-8-23-11-24-9-13)18(25-10-12)29-6-5-27/h1-4,7-11,27H,5-6H2,(H,26,28)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222516
PNG
(US9315489, 52)
Show SMILES OCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4O4/c20-19(21,22)30-15-3-1-14(2-4-15)26-17(28)12-7-16(13-8-23-11-24-9-13)18(25-10-12)29-6-5-27/h1-4,7-11,27H,5-6H2,(H,26,28)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222539
PNG
(US9315489, 75)
Show SMILES Fc1cncc(c1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H11F4N3O2/c19-14-6-12(8-24-10-14)11-5-13(9-23-7-11)17(26)25-15-1-3-16(4-2-15)27-18(20,21)22/h1-10H,(H,25,26)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222492
PNG
(US9315489, 28)
Show SMILES Cn1cc(cn1)-c1cc(ccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13ClF3N3O2/c1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22/h2-10H,1H3,(H,24,26)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222511
PNG
(US9315489, 47)
Show SMILES CC(C)(C#N)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N5O2/c1-20(2,11-25)18-17(14-8-26-12-27-9-14)7-13(10-28-18)19(30)29-15-3-5-16(6-4-15)31-21(22,23)24/h3-10,12H,1-2H3,(H,29,30)
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Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222487
PNG
(US9315489, 23)
Show SMILES Fc1ccc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H11F4N3O2/c18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h1-9H,(H,22,24)(H,23,25)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222491
PNG
(US9315489, 27)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(Cl)c(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C19H12ClF3N2O2/c20-17-6-1-13(11-16(17)12-7-9-24-10-8-12)18(26)25-14-2-4-15(5-3-14)27-19(21,22)23/h1-11H,(H,25,26)
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US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222525
PNG
(US9315489, 61)
Show SMILES Nc1ncc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H12F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)25-15(26)11-5-10(6-22-7-11)12-8-23-16(21)24-9-12/h1-9H,(H,25,26)(H2,21,23,24)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222486
PNG
(US9315489, 22)
Show SMILES Cn1cc(cn1)-c1cc(ccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H13F4N3O2/c1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22/h2-10H,1H3,(H,24,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222524
PNG
(US9315489, 60)
Show SMILES Fc1c(cccc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H11F4N3O2/c19-16-14(11-8-23-10-24-9-11)2-1-3-15(16)17(26)25-12-4-6-13(7-5-12)27-18(20,21)22/h1-10H,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222518
PNG
(US9315489, 54)
Show SMILES COCCOc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H17F3N4O4/c1-28-8-9-29-18-15(16-6-7-24-26-16)10-12(11-23-18)17(27)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222485
PNG
(US9315489, 21)
Show SMILES Fc1ccc(cc1-c1ccncc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H12F4N2O2/c20-17-6-1-13(11-16(17)12-7-9-24-10-8-12)18(26)25-14-2-4-15(5-3-14)27-19(21,22)23/h1-11H,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222522
PNG
(US9315489, 58)
Show SMILES CCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4O3/c1-2-28-18-16(13-8-23-11-24-9-13)7-12(10-25-18)17(27)26-14-3-5-15(6-4-14)29-19(20,21)22/h3-11H,2H2,1H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222515
PNG
(US9315489, 51)
Show SMILES COCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3N4O4/c1-29-6-7-30-19-17(14-9-24-12-25-10-14)8-13(11-26-19)18(28)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12H,6-7H2,1H3,(H,27,28)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222518
PNG
(US9315489, 54)
Show SMILES COCCOc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H17F3N4O4/c1-28-8-9-29-18-15(16-6-7-24-26-16)10-12(11-23-18)17(27)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222544
PNG
(US9315489, 80)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(Cl)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C16H10ClF3N4O2/c17-14-12(13-5-6-22-24-13)7-9(8-21-14)15(25)23-10-1-3-11(4-2-10)26-16(18,19)20/h1-8H,(H,22,24)(H,23,25)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222515
PNG
(US9315489, 51)
Show SMILES COCCOc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3N4O4/c1-29-6-7-30-19-17(14-9-24-12-25-10-14)8-13(11-26-19)18(28)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12H,6-7H2,1H3,(H,27,28)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222526
PNG
(US9315489, 62)
Show SMILES COc1ncccc1-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H14F3N3O3/c1-27-18-16(3-2-8-24-18)12-9-13(11-23-10-12)17(26)25-14-4-6-15(7-5-14)28-19(20,21)22/h2-11H,1H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222527
PNG
(US9315489, 63)
Show SMILES Oc1ncccc1-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H12F3N3O3/c19-18(20,21)27-14-5-3-13(4-6-14)24-16(25)12-8-11(9-22-10-12)15-2-1-7-23-17(15)26/h1-10H,(H,23,26)(H,24,25)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222523
PNG
(US9315489, 59)
Show SMILES Fc1ccc(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cncnc1
Show InChI InChI=1S/C18H11F4N3O2/c19-16-6-1-11(12-8-23-10-24-9-12)7-15(16)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22/h1-10H,(H,25,26)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222528
PNG
(US9315489, 64)
Show SMILES OCCn1cc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-16-3-1-15(2-4-16)24-17(27)13-7-12(8-22-9-13)14-10-23-25(11-14)5-6-26/h1-4,7-11,26H,5-6H2,(H,24,27)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222528
PNG
(US9315489, 64)
Show SMILES OCCn1cc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-16-3-1-15(2-4-16)24-17(27)13-7-12(8-22-9-13)14-10-23-25(11-14)5-6-26/h1-4,7-11,26H,5-6H2,(H,24,27)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222476
PNG
(US9315489, 12)
Show SMILES FC(F)(F)Cc1ccc(NC(=O)c2cccc(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C19H14F3N3O/c20-19(21,22)9-13-4-6-17(7-5-13)25-18(26)15-3-1-2-14(8-15)16-10-23-12-24-11-16/h1-8,10-12H,9H2,(H,25,26)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222519
PNG
(US9315489, 55)
Show SMILES OCCOc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O4/c19-18(20,21)29-13-3-1-12(2-4-13)24-16(27)11-9-14(15-5-6-23-25-15)17(22-10-11)28-8-7-26/h1-6,9-10,26H,7-8H2,(H,23,25)(H,24,27)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222537
PNG
(US9315489, 73)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(n2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-17(19,20)26-13-6-4-12(5-7-13)23-16(25)15-3-1-2-14(24-15)11-8-21-10-22-9-11/h1-10H,(H,23,25)
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222536
PNG
(US9315489, 72)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cc(ccn2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-17(19,20)26-14-3-1-13(2-4-14)24-16(25)15-7-11(5-6-23-15)12-8-21-10-22-9-12/h1-10H,(H,24,25)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222535
PNG
(US9315489, 71)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cncc(n2)-c2cncnc2)cc1
Show InChI InChI=1S/C16H10F3N5O2/c17-16(18,19)26-12-3-1-11(2-4-12)23-15(25)14-8-20-7-13(24-14)10-5-21-9-22-6-10/h1-9H,(H,23,25)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222537
PNG
(US9315489, 73)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccc(n2)-c2cncnc2)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-17(19,20)26-13-6-4-12(5-7-13)23-16(25)15-3-1-2-14(24-15)11-8-21-10-22-9-11/h1-10H,(H,23,25)
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Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM222519
PNG
(US9315489, 55)
Show SMILES OCCOc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O4/c19-18(20,21)29-13-3-1-12(2-4-13)24-16(27)11-9-14(15-5-6-23-25-15)17(22-10-11)28-8-7-26/h1-6,9-10,26H,7-8H2,(H,23,25)(H,24,27)
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Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 μL of the compound p...


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