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Found 767 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 (ABL1)'   
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))
BDBM213677
PNG
(US9278981, 269)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31/h1-6,8-10,19-20,32-33H,11-12H2,(H,30,34)/t19-,20-/m0/s1
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n/an/a<0.100n/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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM230799
PNG
(US9340537, 53)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H23ClF2N6O3/c1-30(2)18-11-31(12-19(18)32)20-16(17-7-8-27-29-17)9-13(10-26-20)21(33)28-14-3-5-15(6-4-14)34-22(23,24)25/h3-10,18-19,32H,11-12H2,1-2H3,(H,27,29)(H,28,33)/t18-,19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



NOVATIS AG

US Patent


Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM230795
PNG
(US9340537, 49)
Show SMILES CC1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c1-20(31)7-9-29(12-20)18-16(17-6-8-26-28-17)10-13(11-25-18)19(30)27-14-2-4-15(5-3-14)32-21(22,23)24/h2-6,8,10-11,31H,7,9,12H2,1H3,(H,26,28)(H,27,30)
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n/an/a<0.100n/an/an/an/an/an/a



NOVATIS AG

US Patent


Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM230777
PNG
(US9340537, 31)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H18F3N5O4/c23-22(24,25)34-15-4-1-13(2-5-15)29-21(33)12-7-16(17-6-3-14(8-26)28-17)20(27-9-12)30-10-18(31)19(32)11-30/h1-7,9,18-19,28,31-32H,10-11H2,(H,29,33)/t18-,19-/m0/s1
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NOVATIS AG

US Patent


Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM213659
PNG
(US9278981, 251)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H23ClF2N6O3/c1-31(2)19-11-32(12-20(19)33)21-18(15-8-27-13-28-9-15)7-14(10-29-21)22(34)30-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,13,19-20,33H,11-12H2,1-2H3,(H,30,34)/t19-,20-/m0/s1
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n/an/a<0.100n/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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM213662
PNG
(US9278981, 254)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3Cc4cn[nH]c4C3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C22H16ClF2N7O2/c23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32/h1-9,12H,10-11H2,(H,29,31)(H,30,33)
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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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM230809
PNG
(US9340537, 63)
Show SMILES OC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H16ClF2N5O3/c20-19(21,22)30-14-3-1-12(2-4-14)25-18(29)11-7-15(16-5-6-24-26-16)17(23-8-11)27-9-13(28)10-27/h1-8,13,28H,9-10H2,(H,24,26)(H,25,29)
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NOVATIS AG

US Patent


Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM213682
PNG
(US9278981, 274)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31/h1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33)/t17-/m1/s1
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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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM230775
PNG
(US9340537, 29)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H19F3N4O4/c24-23(25,26)34-16-5-2-14(3-6-16)29-22(33)13-1-8-19(30-11-20(31)21(32)12-30)17(9-13)18-7-4-15(10-27)28-18/h1-9,20-21,28,31-32H,11-12H2,(H,29,33)/t20-,21-/m0/s1
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NOVATIS AG

US Patent


Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM213496
PNG
(US9278981, 88)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1ccc(Cl)nc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H20ClF3N4O3/c24-20-6-1-15(10-28-20)19-9-16(11-29-21(19)31-8-7-14(12-31)13-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h1-6,9-11,14,32H,7-8,12-13H2,(H,30,33)/t14-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213655
PNG
(US9278981, 247)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C21H16ClF4N5O2/c22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31/h1-4,7-10,12H,5-6,11H2,(H,30,32)
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213673
PNG
(US9278981, 265)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H18ClF3N4O4/c23-22(25,26)34-16-3-1-15(2-4-16)29-21(33)13-6-17(12-5-14(24)9-27-7-12)20(28-8-13)30-10-18(31)19(32)11-30/h1-9,18-19,31-32H,10-11H2,(H,29,33)/t18-,19-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213677
PNG
(US9278981, 269)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31/h1-6,8-10,19-20,32-33H,11-12H2,(H,30,34)/t19-,20-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230768
PNG
(US9340537, 22)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H19ClF2N4O3/c22-21(23,24)31-16-5-3-14(4-6-16)27-20(30)13-10-17(18-2-1-8-25-18)19(26-11-13)28-9-7-15(29)12-28/h1-6,8,10-11,15,25,29H,7,9,12H2,(H,27,30)/t15-/m1/s1
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NOVATIS AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230777
PNG
(US9340537, 31)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H18F3N5O4/c23-22(24,25)34-15-4-1-13(2-5-15)29-21(33)12-7-16(17-6-3-14(8-26)28-17)20(27-9-12)30-10-18(31)19(32)11-30/h1-7,9,18-19,28,31-32H,10-11H2,(H,29,33)/t18-,19-/m0/s1
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NOVATIS AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213656
PNG
(US9278981, 248)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H18ClF2N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)28-20(32)12-5-16(13-6-25-11-26-7-13)19(27-8-12)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H,28,32)/t17-,18-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213667
PNG
(US9278981, 259)
Show SMILES NC1CN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H17ClF2N6O2/c21-20(22,23)31-16-3-1-15(2-4-16)28-19(30)12-5-17(13-6-25-11-26-7-13)18(27-8-12)29-9-14(24)10-29/h1-8,11,14H,9-10,24H2,(H,28,30)
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US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213559
PNG
(US9278981, 151)
Show SMILES CN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c1-28(6-7-29)18-17(14-9-24-12-25-10-14)8-13(11-26-18)19(30)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12,29H,6-7H2,1H3,(H,27,30)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213578
PNG
(US9278981, 170)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H18ClF2N5O3/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1
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US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213579
PNG
(US9278981, 171)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-18-3-1-16(2-4-18)29-21(32)14-8-19(13-7-15(24)11-27-9-13)20(28-10-14)30-6-5-17(31)12-30/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213581
PNG
(US9278981, 173)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-19-3-1-17(2-4-19)30-22(33)16-8-20(15-7-14(9-27)10-28-11-15)21(29-12-16)31-6-5-18(32)13-31/h1-4,7-8,10-12,18,32H,5-6,13H2,(H,30,33)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230814
PNG
(US9340537, 68)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CC4(CNC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C21H19ClF2N6O2/c22-21(23,24)32-15-3-1-14(2-4-15)28-19(31)13-7-16(17-5-6-27-29-17)18(26-8-13)30-11-20(12-30)9-25-10-20/h1-8,25H,9-12H2,(H,27,29)(H,28,31)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213671
PNG
(US9278981, 263)
Show SMILES Cc1ncncc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H20ClF2N5O3/c1-13-19(10-26-12-28-13)18-8-14(9-27-20(18)30-7-6-16(31)11-30)21(32)29-15-2-4-17(5-3-15)33-22(23,24)25/h2-5,8-10,12,16,31H,6-7,11H2,1H3,(H,29,32)/t16-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213603
PNG
(US9278981, 195)
Show SMILES CCN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O2S/c1-2-29(7-8-30)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(31)28-16-3-5-17(6-4-16)32-21(22,23)24/h3-6,9-13,30H,2,7-8H2,1H3,(H,28,31)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213613
PNG
(US9278981, 205)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H17F4N5O2S/c22-17-6-14(1-2-18(17)33-21(23,24)25)29-20(32)12-5-16(13-7-26-11-27-8-13)19(28-9-12)30-4-3-15(31)10-30/h1-2,5-9,11,15,31H,3-4,10H2,(H,29,32)/t15-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230826
PNG
(US9340537, 80)
Show SMILES NC[C@H]1CN(C[C@H]1O)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H21ClF2N6O3/c22-21(23,24)33-15-3-1-14(2-4-15)28-20(32)12-7-16(17-5-6-27-29-17)19(26-9-12)30-10-13(8-25)18(31)11-30/h1-7,9,13,18,31H,8,10-11,25H2,(H,27,29)(H,28,32)/t13-,18+/m0/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213595
PNG
(US9278981, 187)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C22H18F4N4O2S/c23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t17-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213594
PNG
(US9278981, 186)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C21H18F3N5O2S/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213593
PNG
(US9278981, 185)
Show SMILES O[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C21H18F3N5O2S/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m0/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213589
PNG
(US9278981, 181)
Show SMILES CN(CCO)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H18ClF2N5O3/c1-30(6-7-31)20-19(15-8-14(10-26)11-27-12-15)9-16(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25/h2-5,8-9,11-13,31H,6-7H2,1H3,(H,29,32)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213583
PNG
(US9278981, 175)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H20ClF3N4O3/c24-23(26,27)34-19-3-1-18(2-4-19)30-22(33)16-8-20(15-7-17(25)11-28-9-15)21(29-10-16)31-6-5-14(12-31)13-32/h1-4,7-11,14,32H,5-6,12-13H2,(H,30,33)/t14-/m0/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213486
PNG
(US9278981, 78)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N5O3/c23-22(24,25)33-18-3-1-17(2-4-18)29-21(32)15-7-19(16-8-26-13-27-9-16)20(28-10-15)30-6-5-14(11-30)12-31/h1-4,7-10,13-14,31H,5-6,11-12H2,(H,29,32)/t14-/m0/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213631
PNG
(US9278981, 223)
Show SMILES N[C@@]1(CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F6N6O2/c23-21(24,25)20(29)5-6-34(11-20)18-17(14-8-30-12-31-9-14)7-13(10-32-18)19(35)33-15-1-3-16(4-2-15)36-22(26,27)28/h1-4,7-10,12H,5-6,11,29H2,(H,33,35)/t20-/m1/s1
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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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM213448
PNG
(US9278981, 40)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)32-17-6-4-15(5-7-17)28-21(31)14-11-18(19-3-1-2-9-26-19)20(27-12-14)29-10-8-16(30)13-29/h1-7,9,11-12,16,30H,8,10,13H2,(H,28,31)/t16-/m1/s1
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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 uL of the compound pre-...


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


(Homo sapiens (Human))
BDBM230815
PNG
(US9340537, 69)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ncc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c1-19(30)10-28(11-19)17-15(16-24-6-7-25-16)8-12(9-26-17)18(29)27-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,24,25)(H,27,29)
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Assay Description
The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...


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


(Homo sapiens (Human))
BDBM213699
PNG
(US9278981, 291)
Show SMILES Cc1ccncc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C23H21ClF2N4O3/c1-14-6-8-27-12-20(14)19-10-15(11-28-21(19)30-9-7-17(31)13-30)22(32)29-16-2-4-18(5-3-16)33-23(24,25)26/h2-6,8,10-12,17,31H,7,9,13H2,1H3,(H,29,32)/t17-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230835
PNG
(US9340537, 89)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c1-11-6-17(27-26-11)16-7-12(8-24-18(16)28-9-14(29)10-28)19(30)25-13-2-4-15(5-3-13)31-20(21,22)23/h2-8,14,29H,9-10H2,1H3,(H,25,30)(H,26,27)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230834
PNG
(US9340537, 88)
Show SMILES OC1CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H15ClF3N5O3/c20-19(22,23)31-13-3-1-11(2-4-13)26-18(30)10-5-14(16-15(21)7-25-27-16)17(24-6-10)28-8-12(29)9-28/h1-7,12,29H,8-9H2,(H,25,27)(H,26,30)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230815
PNG
(US9340537, 69)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ncc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c1-19(30)10-28(11-19)17-15(16-24-6-7-25-16)8-12(9-26-17)18(29)27-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,24,25)(H,27,29)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213596
PNG
(US9278981, 188)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C23H18F3N5O2S/c24-23(25,26)34-19-3-1-17(2-4-19)30-22(33)16-8-20(15-7-14(9-27)10-28-11-15)21(29-12-16)31-6-5-18(32)13-31/h1-4,7-8,10-12,18,32H,5-6,13H2,(H,30,33)/t18-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230801
PNG
(US9340537, 55)
Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H19ClF2N6O2/c22-21(23,24)32-13-3-1-12(2-4-13)28-20(31)11-7-14(17-5-6-27-29-17)19(26-8-11)30-9-15-16(10-30)18(15)25/h1-8,15-16,18H,9-10,25H2,(H,27,29)(H,28,31)/t15-,16+,18+
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230810
PNG
(US9340537, 64)
Show SMILES NC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H17ClF2N6O2/c20-19(21,22)30-14-3-1-13(2-4-14)26-18(29)11-7-15(16-5-6-25-27-16)17(24-8-11)28-9-12(23)10-28/h1-8,12H,9-10,23H2,(H,25,27)(H,26,29)
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213688
PNG
(US9278981, 280)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-3-1-14(2-4-16)29-21(32)13-9-17(18-11-27-7-5-19(18)24)20(28-10-13)30-8-6-15(31)12-30/h1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t15-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213707
PNG
(US9278981, 299)
Show SMILES COc1ncc(cc1C#N)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C24H20ClF2N5O4/c1-35-23-14(10-28)8-15(11-30-23)20-9-16(12-29-21(20)32-7-6-18(33)13-32)22(34)31-17-2-4-19(5-3-17)36-24(25,26)27/h2-5,8-9,11-12,18,33H,6-7,13H2,1H3,(H,31,34)/t18-/m1/s1
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Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213497
PNG
(US9278981, 89)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cnc(Cl)c(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H19ClF4N4O3/c24-20-19(25)8-14(9-29-20)18-7-15(10-30-21(18)32-6-5-13(11-32)12-33)22(34)31-16-1-3-17(4-2-16)35-23(26,27)28/h1-4,7-10,13,33H,5-6,11-12H2,(H,31,34)/t13-/m0/s1
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UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213516
PNG
(US9278981, 108)
Show SMILES NC[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N6O2/c23-22(24,25)33-18-3-1-17(2-4-18)30-21(32)15-7-19(16-9-27-13-28-10-16)20(29-11-15)31-6-5-14(8-26)12-31/h1-4,7,9-11,13-14H,5-6,8,12,26H2,(H,30,32)/t14-/m0/s1
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Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213580
PNG
(US9278981, 172)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cccnc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-5-3-14(4-6-16)29-21(32)13-10-18(17-2-1-8-27-19(17)24)20(28-11-13)30-9-7-15(31)12-30/h1-6,8,10-11,15,31H,7,9,12H2,(H,29,32)/t15-/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213585
PNG
(US9278981, 177)
Show SMILES NC[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H21ClF2N6O2/c23-22(24,25)33-18-3-1-17(2-4-18)30-21(32)15-7-19(16-9-27-13-28-10-16)20(29-11-15)31-6-5-14(8-26)12-31/h1-4,7,9-11,13-14H,5-6,8,12,26H2,(H,30,32)/t14-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM230817
PNG
(US9340537, 71)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ncc[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28/h1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30)/t14-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



NOVATIS AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


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


(Homo sapiens (Human))
BDBM213588
PNG
(US9278981, 180)
Show SMILES CN(CCO)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H18ClF3N4O3/c1-29(6-7-30)19-18(13-8-15(23)12-26-10-13)9-14(11-27-19)20(31)28-16-2-4-17(5-3-16)32-21(22,24)25/h2-5,8-12,30H,6-7H2,1H3,(H,28,31)
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


Citation and Details
More data for this
Ligand-Target Pair
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