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Patent code US9896444

Compile Data Set for Download or QSAR
Found 175 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


(Homo sapiens (Human))		BDBM230777
PNG
(US9340537, 31 | US9896444, Example 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=1/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-/s2
PDB

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n/an/a<0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230799
PNG
(US9340537, 53 | US9896444, Example 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=1/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-/s2
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n/an/a<0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230809
PNG
(US9340537, 63 | US9896444, Example 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)
PDB

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Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230795
PNG
(US9340537, 49 | US9896444, Example 49)
Show SMILES CC1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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)
PDB

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Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230775
PNG
(US9340537, 29 | US9896444, Example 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=1/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-/s2
PDB

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Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230777
PNG
(US9340537, 31 | US9896444, Example 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=1/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-/s2
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230814
PNG
(US9340537, 68 | US9896444, Example 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)
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230826
PNG
(US9340537, 80 | US9896444, Example 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=1/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+/s2
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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230768
PNG
(US9340537, 22 | US9896444, Example 22)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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-/s2
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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230835
PNG
(US9340537, 89 | US9896444, Example 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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n/an/a 0.200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230810
PNG
(US9340537, 64 | US9896444, Example 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)
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230815
PNG
(US9340537, 69 | US9896444, Example 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)
PDB

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Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230834
PNG
(US9340537, 88 | US9896444, Example 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)
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230815
PNG
(US9340537, 69 | US9896444, Example 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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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230801
PNG
(US9340537, 55 | US9896444, Example 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=1/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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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230817
PNG
(US9340537, 71 | US9896444, Example 71)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ncc[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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-/s2
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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230792
PNG
(US9340537, 46 | US9896444, Example 46)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H18ClF2N5O4/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-/s2
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230826
PNG
(US9340537, 80 | US9896444, Example 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=1/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+/s2
PDB

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Novartis AG

US Patent


Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230829
PNG
(US9340537, 83 | US9896444, Example 83)
Show SMILES NCC1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H21ClF2N6O3/c22-21(23,24)33-15-3-1-14(2-4-15)28-19(31)13-9-16(17-5-7-27-29-17)18(26-10-13)30-8-6-20(32,11-25)12-30/h1-5,7,9-10,32H,6,8,11-12,25H2,(H,27,29)(H,28,31)
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230827
PNG
(US9340537, 81 | US9896444, Example 81)
Show SMILES C[C@@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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)/t20-/s2
PDB

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n/an/a 0.400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230800
PNG
(US9340537, 54 | US9896444, Example 54)
Show SMILES NC12CC1CN(C2)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H19ClF2N6O2/c22-21(23,24)32-15-3-1-14(2-4-15)28-19(31)12-7-16(17-5-6-27-29-17)18(26-9-12)30-10-13-8-20(13,25)11-30/h1-7,9,13H,8,10-11,25H2,(H,27,29)(H,28,31)
PDB

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Novartis AG

US Patent


Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230821
PNG
(US9340537, 75 | US9896444, Example 75)
Show SMILES O[C@H]1CN(C[C@@H]1F)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H17ClF3N5O3/c21-20(23,24)32-13-3-1-12(2-4-13)27-19(31)11-7-14(16-5-6-26-28-16)18(25-8-11)29-9-15(22)17(30)10-29/h1-8,15,17,30H,9-10H2,(H,26,28)(H,27,31)/t15-,17-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230775
PNG
(US9340537, 29 | US9896444, Example 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=1/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-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230809
PNG
(US9340537, 63 | US9896444, Example 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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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230813
PNG
(US9340537, 67 | US9896444, Example 67)
Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230756
PNG
(US9340537, 10 | US9896444, Example 10)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230751
PNG
(US9340537, 5 | US9896444, Example 5)
Show SMILES OC[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4S/c23-22(24,25)32-16-4-2-15(3-5-16)27-21(31)13-1-6-18(17(7-13)20-8-26-12-33-20)28-9-14(11-29)19(30)10-28/h1-8,12,14,19,29-30H,9-11H2,(H,27,31)/t14-,19+/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230806
PNG
(US9340537, 60 | US9896444, Example 60)
Show SMILES FC(F)(F)CN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H20ClF5N6O2/c23-22(27,28)36-16-3-1-15(2-4-16)31-20(35)14-11-17(18-5-6-30-32-18)19(29-12-14)34-9-7-33(8-10-34)13-21(24,25)26/h1-6,11-12H,7-10,13H2,(H,30,32)(H,31,35)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230831
PNG
(US9340537, 85 | US9896444, Example 86)
Show SMILES OC1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c22-21(23,24)32-16-3-1-14(2-4-16)27-20(31)13-11-17(18-5-8-26-28-18)19(25-12-13)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230825
PNG
(US9340537, 79 | US9896444, Example 79)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H21ClF2N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230825
PNG
(US9340537, 79 | US9896444, Example 79)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H21ClF2N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230823
PNG
(US9340537, 77 | US9896444, Example 77)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H19ClF2N4O4/c22-21(23,24)32-14-4-2-13(3-5-14)26-20(31)12-1-6-17(28-10-18(29)19(30)11-28)15(9-12)16-7-8-25-27-16/h1-9,18-19,29-30H,10-11H2,(H,25,27)(H,26,31)/t18-,19-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230836
PNG
(US9340537, 90 | US9896444, Example 90)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(31)9-29(10-19)17-14(16-15(22)8-26-28-16)6-11(7-25-17)18(30)27-12-2-4-13(5-3-12)32-20(21,23)24/h2-8,31H,9-10H2,1H3,(H,26,28)(H,27,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230776
PNG
(US9340537, 30 | US9896444, Example 30)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H18F3N5O3/c23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30/h1-6,9,11,16,28,31H,7-8,12H2,(H,29,32)/t16-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230791
PNG
(US9340537, 45 | US9896444, Example 45)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H18ClF2N5O3/c23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30/h1-6,9,11,16,28,31H,7-8,12H2,(H,29,32)/t16-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230830
PNG
(US9340537, 84 | US9896444, Example 84)
Show SMILES Cc1cc([nH]n1)-c1cc(ccc1N1C[C@H](N)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H22ClF2N5O3/c1-12-8-18(29-28-12)16-9-13(2-7-19(16)30-10-17(26)20(31)11-30)21(32)27-14-3-5-15(6-4-14)33-22(23,24)25/h2-9,17,20,31H,10-11,26H2,1H3,(H,27,32)(H,28,29)/t17-,20-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230812
PNG
(US9340537, 66 | US9896444, Example 66)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c1-19(30)10-28(11-19)17-15(16-6-7-25-27-16)8-12(9-24-17)18(29)26-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,25,27)(H,26,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230838
PNG
(US9340537, 92 | US9896444, Example 92)
Show SMILES OCC1CN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H17ClF3N5O3/c21-20(23,24)32-14-3-1-13(2-4-14)27-19(31)12-5-15(17-16(22)7-26-28-17)18(25-6-12)29-8-11(9-29)10-30/h1-7,11,30H,8-10H2,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230795
PNG
(US9340537, 49 | US9896444, Example 49)
Show SMILES CC1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230747
PNG
(US9340537, 1 | US9896444, Example 1)
Show SMILES O[C@@H]1CCN(C1)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H18F3N3O3S/c22-21(23,24)30-16-4-2-14(3-5-16)26-20(29)13-1-6-18(27-8-7-15(28)11-27)17(9-13)19-10-25-12-31-19/h1-6,9-10,12,15,28H,7-8,11H2,(H,26,29)/t15-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230761
PNG
(US9340537, 15 | US9896444, Example 15)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)30-15-5-3-14(4-6-15)26-19(29)13-11-16(17-7-8-25-27-17)18(24-12-13)28-9-1-2-10-28/h3-8,11-12H,1-2,9-10H2,(H,25,27)(H,26,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230767
PNG
(US9340537, 21 | US9896444, Example 21)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N5O3/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230811
PNG
(US9340537, 65 | US9896444, Example 65)
Show SMILES CN(C)C1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H21ClF2N6O2/c1-29(2)15-11-30(12-15)19-17(18-7-8-26-28-18)9-13(10-25-19)20(31)27-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230793
PNG
(US9340537, 47 | US9896444, Example 47)
Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N
Show InChI InChI=1/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230834
PNG
(US9340537, 88 | US9896444, Example 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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230825
PNG
(US9340537, 79 | US9896444, Example 79)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H21ClF2N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230773
PNG
(US9340537, 27 | US9896444, Example 27)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N5O2S/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230835
PNG
(US9340537, 89 | US9896444, Example 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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230759
PNG
(US9340537, 13 | US9896444, Example 13)
Show SMILES C[C@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O3/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)/t20-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230828
PNG
(US9340537, 82 | US9896444, Example 82)
Show SMILES C[C@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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)/t20-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230772
PNG
(US9340537, 26 | US9896444, Example 26)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230802
PNG
(US9340537, 56 | US9896444, Example 56)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCNC4(CC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C22H21ClF2N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230801
PNG
(US9340537, 55 | US9896444, Example 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=1/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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230800
PNG
(US9340537, 54 | US9896444, Example 54)
Show SMILES NC12CC1CN(C2)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H19ClF2N6O2/c22-21(23,24)32-15-3-1-14(2-4-15)28-19(31)12-7-16(17-5-6-27-29-17)18(26-9-12)30-10-13-8-20(13,25)11-30/h1-7,9,13H,8,10-11,25H2,(H,27,29)(H,28,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230770
PNG
(US9340537, 24 | US9896444, Example 24)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H20ClF2N5O3/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230792
PNG
(US9340537, 46 | US9896444, Example 46)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H18ClF2N5O4/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-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230806
PNG
(US9340537, 60 | US9896444, Example 60)
Show SMILES FC(F)(F)CN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H20ClF5N6O2/c23-22(27,28)36-16-3-1-15(2-4-16)31-20(35)14-11-17(18-5-6-30-32-18)19(29-12-14)34-9-7-33(8-10-34)13-21(24,25)26/h1-6,11-12H,7-10,13H2,(H,30,32)(H,31,35)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230825
PNG
(US9340537, 79 | US9896444, Example 79)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H21ClF2N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230797
PNG
(US9340537, 51 | US9896444, Example 51)
Show SMILES NCC1(F)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF3N6O2/c22-21(24,25)33-15-3-1-14(2-4-15)29-19(32)13-9-16(17-5-7-28-30-17)18(27-10-13)31-8-6-20(23,11-26)12-31/h1-5,7,9-10H,6,8,11-12,26H2,(H,28,30)(H,29,32)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230819
PNG
(US9340537, 73 | US9896444, Example 73)
Show SMILES CN(C)C(=O)c1ccc([nH]1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C24H24ClF2N5O4/c1-31(2)23(35)20-8-7-19(30-20)18-11-14(12-28-21(18)32-10-9-16(33)13-32)22(34)29-15-3-5-17(6-4-15)36-24(25,26)27/h3-8,11-12,16,30,33H,9-10,13H2,1-2H3,(H,29,34)/t16-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230762
PNG
(US9340537, 16 | US9896444, Example 16)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N1CC[C@H](CO)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H21F3N4O3S/c1-13-26-10-19(33-13)18-8-15(9-27-20(18)29-7-6-14(11-29)12-30)21(31)28-16-2-4-17(5-3-16)32-22(23,24)25/h2-5,8-10,14,30H,6-7,11-12H2,1H3,(H,28,31)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230751
PNG
(US9340537, 5 | US9896444, Example 5)
Show SMILES OC[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4S/c23-22(24,25)32-16-4-2-15(3-5-16)27-21(31)13-1-6-18(17(7-13)20-8-26-12-33-20)28-9-14(11-29)19(30)10-28/h1-8,12,14,19,29-30H,9-11H2,(H,27,31)/t14-,19+/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230839
PNG
(US9340537, 93 | US9896444, Example 93)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(CO)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c1-12-6-18(28-27-12)17-7-14(8-25-19(17)29-9-13(10-29)11-30)20(31)26-15-2-4-16(5-3-15)32-21(22,23)24/h2-8,13,30H,9-11H2,1H3,(H,26,31)(H,27,28)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230833
PNG
(US9340537, 87 | US9896444, Example 87)
Show SMILES O[C@@H]1CCCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF2N5O3/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-10-17(18-7-8-26-28-18)19(25-11-13)29-9-1-2-15(30)12-29/h3-8,10-11,15,30H,1-2,9,12H2,(H,26,28)(H,27,31)/t15-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230752
PNG
(US9340537, 6 | US9896444, Example 6)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O3/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-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230796
PNG
(US9340537, 50 | US9896444, Example 50)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC4(CNC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C22H21ClF2N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-9-17(18-5-7-28-30-18)19(27-10-14)31-8-6-21(13-31)11-26-12-21/h1-5,7,9-10,26H,6,8,11-13H2,(H,28,30)(H,29,32)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230770
PNG
(US9340537, 24 | US9896444, Example 24)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H20ClF2N5O3/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230837
PNG
(US9340537, 91 | US9896444, Example 91)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(C)(O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c1-12-7-17(28-27-12)16-8-13(9-25-18(16)29-10-20(2,31)11-29)19(30)26-14-3-5-15(6-4-14)32-21(22,23)24/h3-9,31H,10-11H2,1-2H3,(H,26,30)(H,27,28)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230763
PNG
(US9340537, 17 | US9896444, Example 17)
Show SMILES OC[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O4S/c22-21(23,24)32-15-3-1-14(2-4-15)27-20(31)12-5-16(18-7-25-11-33-18)19(26-6-12)28-8-13(10-29)17(30)9-28/h1-7,11,13,17,29-30H,8-10H2,(H,27,31)/t13-,17+/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230808
PNG
(US9340537, 62 | US9896444, Example 62)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCOCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(29)13-11-16(17-5-6-25-27-17)18(24-12-13)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,25,27)(H,26,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230799
PNG
(US9340537, 53 | US9896444, Example 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=1/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-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230822
PNG
(US9340537, 76 | US9896444, Example 76)
Show SMILES N[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF2N5O3/c22-21(23,24)32-14-4-2-13(3-5-14)27-20(31)12-1-6-18(29-10-16(25)19(30)11-29)15(9-12)17-7-8-26-28-17/h1-9,16,19,30H,10-11,25H2,(H,26,28)(H,27,31)/t16-,19-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230780
PNG
(US9340537, 34 | US9896444, Example 34)
Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N6O2/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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230831
PNG
(US9340537, 85 | US9896444, Example 86)
Show SMILES OC1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c22-21(23,24)32-16-3-1-14(2-4-16)27-20(31)13-11-17(18-5-8-26-28-18)19(25-12-13)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230784
PNG
(US9340537, 38 | US9896444, Example 38)
Show SMILES CN(C)C1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N6O2/c1-29(2)15-11-30(12-15)19-17(18-7-8-26-28-18)9-13(10-25-19)20(31)27-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230812
PNG
(US9340537, 66 | US9896444, Example 66)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c1-19(30)10-28(11-19)17-15(16-6-7-25-27-16)8-12(9-24-17)18(29)26-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,25,27)(H,26,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230808
PNG
(US9340537, 62 | US9896444, Example 62)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCOCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(29)13-11-16(17-5-6-25-27-17)18(24-12-13)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,25,27)(H,26,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230793
PNG
(US9340537, 47 | US9896444, Example 47)
Show SMILES Cn1c(ccc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C#N
Show InChI InChI=1/C23H20ClF2N5O3/c1-30-16(11-27)4-7-20(30)19-10-14(12-28-21(19)31-9-8-17(32)13-31)22(33)29-15-2-5-18(6-3-15)34-23(24,25)26/h2-7,10,12,17,32H,8-9,13H2,1H3,(H,29,33)/t17-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230780
PNG
(US9340537, 34 | US9896444, Example 34)
Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N6O2/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
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230767
PNG
(US9340537, 21 | US9896444, Example 21)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N5O3/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230783
PNG
(US9340537, 37 | US9896444, Example 37)
Show SMILES OC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N5O3/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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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230831
PNG
(US9340537, 85 | US9896444, Example 86)
Show SMILES OC1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c22-21(23,24)32-16-3-1-14(2-4-16)27-20(31)13-11-17(18-5-8-26-28-18)19(25-12-13)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2,(H,26,28)(H,27,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230783
PNG
(US9340537, 37 | US9896444, Example 37)
Show SMILES OC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N5O3/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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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230814
PNG
(US9340537, 68 | US9896444, Example 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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230813
PNG
(US9340537, 67 | US9896444, Example 67)
Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230830
PNG
(US9340537, 84 | US9896444, Example 84)
Show SMILES Cc1cc([nH]n1)-c1cc(ccc1N1C[C@H](N)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H22ClF2N5O3/c1-12-8-18(29-28-12)16-9-13(2-7-19(16)30-10-17(26)20(31)11-30)21(32)27-14-3-5-15(6-4-14)33-22(23,24)25/h2-9,17,20,31H,10-11,26H2,1H3,(H,27,32)(H,28,29)/t17-,20-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230788
PNG
(US9340537, 42 | US9896444, Example 42)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(CO)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O3/c1-12-6-18(28-27-12)17-7-14(8-25-19(17)29-9-13(10-29)11-30)20(31)26-15-2-4-16(5-3-15)32-21(22,23)24/h2-8,13,30H,9-11H2,1H3,(H,26,31)(H,27,28)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230804
PNG
(US9340537, 58 | US9896444, Example 58)
Show SMILES FCCN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H22ClF3N6O2/c23-22(25,26)34-17-3-1-16(2-4-17)29-21(33)15-13-18(19-5-7-28-30-19)20(27-14-15)32-11-9-31(8-6-24)10-12-32/h1-5,7,13-14H,6,8-12H2,(H,28,30)(H,29,33)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230768
PNG
(US9340537, 22 | US9896444, Example 22)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/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-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230760
PNG
(US9340537, 14 | US9896444, Example 14)
Show SMILES C[C@@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O3/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)/t20-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230771
PNG
(US9340537, 25 | US9896444, Example 25)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O2S/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-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230769
PNG
(US9340537, 23 | US9896444, Example 23)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H18ClF2N5O3/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230760
PNG
(US9340537, 14 | US9896444, Example 14)
Show SMILES C[C@@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O3/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)/t20-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230802
PNG
(US9340537, 56 | US9896444, Example 56)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCNC4(CC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C22H21ClF2N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230785
PNG
(US9340537, 39 | US9896444, Example 39)
Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230779
PNG
(US9340537, 33 | US9896444, Example 33)
Show SMILES NC12CC1CN(C2)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N6O2/c22-21(23,24)32-15-3-1-14(2-4-15)28-19(31)12-7-16(17-5-6-27-29-17)18(26-9-12)30-10-13-8-20(13,25)11-30/h1-7,9,13H,8,10-11,25H2,(H,27,29)(H,28,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230753
PNG
(US9340537, 7 | US9896444, Example 7)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H18F3N3O4/c22-21(23,24)31-17-3-1-15(2-4-17)26-20(29)14-9-18(13-6-8-30-12-13)19(25-10-14)27-7-5-16(28)11-27/h1-4,6,8-10,12,16,28H,5,7,11H2,(H,26,29)/t16-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230774
PNG
(US9340537, 28 | US9896444, Example 28)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4/c23-22(24,25)32-15-6-4-14(5-7-15)27-21(31)13-3-8-18(28-11-19(29)20(30)12-28)16(10-13)17-2-1-9-26-17/h1-10,19-20,26,29-30H,11-12H2,(H,27,31)/t19-,20-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230807
PNG
(US9340537, 61 | US9896444, Example 61)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCCC4(CCN4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1/C23H23ClF2N6O2/c24-23(25,26)34-17-4-2-16(3-5-17)30-21(33)15-12-18(19-6-9-29-31-19)20(27-13-15)32-11-1-7-22(14-32)8-10-28-22/h2-6,9,12-13,28H,1,7-8,10-11,14H2,(H,29,31)(H,30,33)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230766
PNG
(US9340537, 20 | US9896444, Example 20)
Show SMILES CN(CCO)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N3O3S/c1-26(8-9-27)17-7-2-13(10-16(17)18-11-24-12-30-18)19(28)25-14-3-5-15(6-4-14)29-20(21,22)23/h2-7,10-12,27H,8-9H2,1H3,(H,25,28)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230833
PNG
(US9340537, 87 | US9896444, Example 87)
Show SMILES O[C@@H]1CCCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF2N5O3/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-10-17(18-7-8-26-28-18)19(25-11-13)29-9-1-2-15(30)12-29/h3-8,10-11,15,30H,1-2,9,12H2,(H,26,28)(H,27,31)/t15-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230798
PNG
(US9340537, 52 | US9896444, Example 52)
Show SMILES N[C@@H]1CN(C[C@H]1F)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H18ClF3N6O2/c21-20(23,24)32-13-3-1-12(2-4-13)28-19(31)11-7-14(17-5-6-27-29-17)18(26-8-11)30-9-15(22)16(25)10-30/h1-8,15-16H,9-10,25H2,(H,27,29)(H,28,31)/t15-,16-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230758
PNG
(US9340537, 12 | US9896444, Example 12)
Show SMILES OCc1cc(cs1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4S/c23-22(24,25)32-17-3-1-15(2-4-17)27-21(31)13-8-19(14-7-18(11-29)33-12-14)20(26-9-13)28-6-5-16(30)10-28/h1-4,7-9,12,16,29-30H,5-6,10-11H2,(H,27,31)/t16-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230762
PNG
(US9340537, 16 | US9896444, Example 16)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N1CC[C@H](CO)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H21F3N4O3S/c1-13-26-10-19(33-13)18-8-15(9-27-20(18)29-7-6-14(11-29)12-30)21(31)28-16-2-4-17(5-3-16)32-22(23,24)25/h2-5,8-10,14,30H,6-7,11-12H2,1H3,(H,28,31)/t14-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230822
PNG
(US9340537, 76 | US9896444, Example 76)
Show SMILES N[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF2N5O3/c22-21(23,24)32-14-4-2-13(3-5-14)27-20(31)12-1-6-18(29-10-16(25)19(30)11-29)15(9-12)17-7-8-26-28-17/h1-9,16,19,30H,10-11,25H2,(H,26,28)(H,27,31)/t16-,19-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230749
PNG
(US9340537, 3 | US9896444, Example 3)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H18F3N3O4S/c22-21(23,24)31-14-4-2-13(3-5-14)26-20(30)12-1-6-16(27-9-17(28)18(29)10-27)15(7-12)19-8-25-11-32-19/h1-8,11,17-18,28-29H,9-10H2,(H,26,30)/t17-,18-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230761
PNG
(US9340537, 15 | US9896444, Example 15)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)30-15-5-3-14(4-6-15)26-19(29)13-11-16(17-7-8-25-27-17)18(24-12-13)28-9-1-2-10-28/h3-8,11-12H,1-2,9-10H2,(H,25,27)(H,26,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230748
PNG
(US9340537, 2 | US9896444, Example 2)
Show SMILES CC1(O)CCN(C1)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O3S/c1-21(30)8-9-28(12-21)18-7-2-14(10-17(18)19-11-26-13-32-19)20(29)27-15-3-5-16(6-4-15)31-22(23,24)25/h2-7,10-11,13,30H,8-9,12H2,1H3,(H,27,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230821
PNG
(US9340537, 75 | US9896444, Example 75)
Show SMILES O[C@H]1CN(C[C@@H]1F)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H17ClF3N5O3/c21-20(23,24)32-13-3-1-12(2-4-13)27-19(31)11-7-14(16-5-6-26-28-16)18(25-8-11)29-9-15(22)17(30)10-29/h1-8,15,17,30H,9-10H2,(H,26,28)(H,27,31)/t15-,17-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230757
PNG
(US9340537, 11 | US9896444, Example 11)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O3S/c1-12-25-10-18(32-12)17-8-13(9-26-19(17)28-7-6-15(29)11-28)20(30)27-14-2-4-16(5-3-14)31-21(22,23)24/h2-5,8-10,15,29H,6-7,11H2,1H3,(H,27,30)/t15-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230749
PNG
(US9340537, 3 | US9896444, Example 3)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H18F3N3O4S/c22-21(23,24)31-14-4-2-13(3-5-14)26-20(30)12-1-6-16(27-9-17(28)18(29)10-27)15(7-12)19-8-25-11-32-19/h1-8,11,17-18,28-29H,9-10H2,(H,26,30)/t17-,18-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230789
PNG
(US9340537, 43 | US9896444, Example 43)
Show SMILES OCc1cc([nH]n1)-c1cc(cnc1N1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O3/c22-21(23,24)32-16-5-3-14(4-6-16)26-20(31)13-9-17(18-10-15(12-30)27-28-18)19(25-11-13)29-7-1-2-8-29/h3-6,9-11,30H,1-2,7-8,12H2,(H,26,31)(H,27,28)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230805
PNG
(US9340537, 59 | US9896444, Example 59)
Show SMILES FC(F)CN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H21ClF4N6O2/c23-22(26,27)35-16-3-1-15(2-4-16)30-21(34)14-11-17(18-5-6-29-31-18)20(28-12-14)33-9-7-32(8-10-33)13-19(24)25/h1-6,11-12,19H,7-10,13H2,(H,29,31)(H,30,34)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230803
PNG
(US9340537, 57 | US9896444, Example 57)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCN(CC3)C3CC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C23H23ClF2N6O2/c24-23(25,26)34-18-5-1-16(2-6-18)29-22(33)15-13-19(20-7-8-28-30-20)21(27-14-15)32-11-9-31(10-12-32)17-3-4-17/h1-2,5-8,13-14,17H,3-4,9-12H2,(H,28,30)(H,29,33)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230769
PNG
(US9340537, 23 | US9896444, Example 23)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H18ClF2N5O3/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230798
PNG
(US9340537, 52 | US9896444, Example 52)
Show SMILES N[C@@H]1CN(C[C@H]1F)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H18ClF3N6O2/c21-20(23,24)32-13-3-1-12(2-4-13)28-19(31)11-7-14(17-5-6-27-29-17)18(26-8-11)30-9-15(22)16(25)10-30/h1-8,15-16H,9-10,25H2,(H,27,29)(H,28,31)/t15-,16-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230748
PNG
(US9340537, 2 | US9896444, Example 2)
Show SMILES CC1(O)CCN(C1)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O3S/c1-21(30)8-9-28(12-21)18-7-2-14(10-17(18)19-11-26-13-32-19)20(29)27-15-3-5-16(6-4-15)31-22(23,24)25/h2-7,10-11,13,30H,8-9,12H2,1H3,(H,27,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230824
PNG
(US9340537, 78 | US9896444, Example 78)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H21F3N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230820
PNG
(US9340537, 74 | US9896444, Example 74)
Show SMILES O[C@H]1CN(C[C@@H]1F)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H17F4N5O3/c21-15-9-29(10-17(15)30)18-14(16-5-6-26-28-16)7-11(8-25-18)19(31)27-12-1-3-13(4-2-12)32-20(22,23)24/h1-8,15,17,30H,9-10H2,(H,26,28)(H,27,31)/t15-,17-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230771
PNG
(US9340537, 25 | US9896444, Example 25)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O2S/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-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230747
PNG
(US9340537, 1 | US9896444, Example 1)
Show SMILES O[C@@H]1CCN(C1)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H18F3N3O3S/c22-21(23,24)30-16-4-2-14(3-5-16)26-20(29)13-1-6-18(27-8-7-15(28)11-27)17(9-13)19-10-25-12-31-19/h1-6,9-10,12,15,28H,7-8,11H2,(H,26,29)/t15-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230786
PNG
(US9340537, 40 | US9896444, Example 40)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c1-19(30)10-28(11-19)17-15(16-6-7-25-27-16)8-12(9-24-17)18(29)26-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,25,27)(H,26,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230750
PNG
(US9340537, 4 | US9896444, Example 4)
Show SMILES CO[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4S/c1-31-19-11-28(10-18(19)29)17-7-2-13(8-16(17)20-9-26-12-33-20)21(30)27-14-3-5-15(6-4-14)32-22(23,24)25/h2-9,12,18-19,29H,10-11H2,1H3,(H,27,30)/t18-,19-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230791
PNG
(US9340537, 45 | US9896444, Example 45)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C22H18ClF2N5O3/c23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30/h1-6,9,11,16,28,31H,7-8,12H2,(H,29,32)/t16-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230831
PNG
(US9340537, 85 | US9896444, Example 86)
Show SMILES OC1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H20ClF2N5O3/c22-21(23,24)32-16-3-1-14(2-4-16)27-20(31)13-11-17(18-5-8-26-28-18)19(25-12-13)29-9-6-15(30)7-10-29/h1-5,8,11-12,15,30H,6-7,9-10H2,(H,26,28)(H,27,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230810
PNG
(US9340537, 64 | US9896444, Example 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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230824
PNG
(US9340537, 78 | US9896444, Example 78)
Show SMILES CO[C@H]1CN(C[C@@H]1N)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H21F3N6O3/c1-32-18-11-30(10-16(18)25)19-15(17-6-7-27-29-17)8-12(9-26-19)20(31)28-13-2-4-14(5-3-13)33-21(22,23)24/h2-9,16,18H,10-11,25H2,1H3,(H,27,29)(H,28,31)/t16-,18-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230778
PNG
(US9340537, 32 | US9896444, Example 32)
Show SMILES N[C@@]1(CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1/C21H18F6N6O2/c22-20(23,24)19(28)6-8-33(11-19)17-15(16-5-7-30-32-16)9-12(10-29-17)18(34)31-13-1-3-14(4-2-13)35-21(25,26)27/h1-5,7,9-10H,6,8,11,28H2,(H,30,32)(H,31,34)/t19-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230759
PNG
(US9340537, 13 | US9896444, Example 13)
Show SMILES C[C@]1(O)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O3/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)/t20-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230818
PNG
(US9340537, 72 | US9896444, Example 72)
Show SMILES Cc1cnc([nH]1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O3/c1-12-9-25-18(27-12)17-8-13(10-26-19(17)29-7-6-15(30)11-29)20(31)28-14-2-4-16(5-3-14)32-21(22,23)24/h2-5,8-10,15,30H,6-7,11H2,1H3,(H,25,27)(H,28,31)/t15-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230774
PNG
(US9340537, 28 | US9896444, Example 28)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4/c23-22(24,25)32-15-6-4-14(5-7-15)27-21(31)13-3-8-18(28-11-19(29)20(30)12-28)16(10-13)17-2-1-9-26-17/h1-10,19-20,26,29-30H,11-12H2,(H,27,31)/t19-,20-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230750
PNG
(US9340537, 4 | US9896444, Example 4)
Show SMILES CO[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H20F3N3O4S/c1-31-19-11-28(10-18(19)29)17-7-2-13(8-16(17)20-9-26-12-33-20)21(30)27-14-3-5-15(6-4-14)32-22(23,24)25/h2-9,12,18-19,29H,10-11H2,1H3,(H,27,30)/t18-,19-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230807
PNG
(US9340537, 61 | US9896444, Example 61)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCCC4(CCN4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1/C23H23ClF2N6O2/c24-23(25,26)34-17-4-2-16(3-5-17)30-21(33)15-12-18(19-6-9-29-31-19)20(27-13-15)32-11-1-7-22(14-32)8-10-28-22/h2-6,9,12-13,28H,1,7-8,10-11,14H2,(H,29,31)(H,30,33)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230773
PNG
(US9340537, 27 | US9896444, Example 27)
Show SMILES CCN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3N5O2S/c1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230785
PNG
(US9340537, 39 | US9896444, Example 39)
Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230797
PNG
(US9340537, 51 | US9896444, Example 51)
Show SMILES NCC1(F)CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C21H20ClF3N6O2/c22-21(24,25)33-15-3-1-14(2-4-15)29-19(32)13-9-16(17-5-7-28-30-17)18(27-10-13)31-8-6-20(23,11-26)12-31/h1-5,7,9-10H,6,8,11-12,26H2,(H,28,30)(H,29,32)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230782
PNG
(US9340537, 36 | US9896444, Example 36)
Show SMILES OCC1CN(CCO1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230766
PNG
(US9340537, 20 | US9896444, Example 20)
Show SMILES CN(CCO)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N3O3S/c1-26(8-9-27)17-7-2-13(10-16(17)18-11-24-12-30-18)19(28)25-14-3-5-15(6-4-14)29-20(21,22)23/h2-7,10-12,27H,8-9H2,1H3,(H,25,28)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230764
PNG
(US9340537, 18 | US9896444, Example 18)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCOCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(29)13-11-16(17-5-6-25-27-17)18(24-12-13)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,25,27)(H,26,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230779
PNG
(US9340537, 33 | US9896444, Example 33)
Show SMILES NC12CC1CN(C2)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N6O2/c22-21(23,24)32-15-3-1-14(2-4-15)28-19(31)12-7-16(17-5-6-27-29-17)18(26-9-12)30-10-13-8-20(13,25)11-30/h1-7,9,13H,8,10-11,25H2,(H,27,29)(H,28,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230845
PNG
(US9340537, 99 | US9896444, Example 99)
Show SMILES OCC[C@@H](O)CNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(24-10-12)25-11-14(30)6-8-29/h1-5,7,9-10,14,29-30H,6,8,11H2,(H,24,25)(H,26,28)(H,27,31)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230756
PNG
(US9340537, 10 | US9896444, Example 10)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-19(29)12-7-16(17-9-24-11-31-17)18(25-8-12)27-6-5-14(28)10-27/h1-4,7-9,11,14,28H,5-6,10H2,(H,26,29)/t14-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230842
PNG
(US9340537, 96 | US9896444, Example 96)
Show SMILES OC(CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C(O)=O
Show InChI InChI=1/C20H18ClF2N5O5/c21-20(22,23)33-13-3-1-12(2-4-13)27-18(30)11-9-14(15-5-8-26-28-15)17(25-10-11)24-7-6-16(29)19(31)32/h1-5,8-10,16,29H,6-7H2,(H,24,25)(H,26,28)(H,27,30)(H,31,32)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230786
PNG
(US9340537, 40 | US9896444, Example 40)
Show SMILES CC1(O)CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/c1-19(30)10-28(11-19)17-15(16-6-7-25-27-16)8-12(9-24-17)18(29)26-13-2-4-14(5-3-13)31-20(21,22)23/h2-9,30H,10-11H2,1H3,(H,25,27)(H,26,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230794
PNG
(US9340537, 48 | US9896444, Example 48)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H16ClF4N5O2/c21-20(24,25)32-14-3-1-13(2-4-14)28-18(31)12-9-15(16-5-7-27-29-16)17(26-10-12)30-8-6-19(22,23)11-30/h1-5,7,9-10H,6,8,11H2,(H,27,29)(H,28,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230811
PNG
(US9340537, 65 | US9896444, Example 65)
Show SMILES CN(C)C1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C21H21ClF2N6O2/c1-29(2)15-11-30(12-15)19-17(18-7-8-26-28-18)9-13(10-25-19)20(31)27-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H,27,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230843
PNG
(US9340537, 97 | US9896444, Example 97)
Show SMILES OCCC(O)CNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(24-10-12)25-11-14(30)6-8-29/h1-5,7,9-10,14,29-30H,6,8,11H2,(H,24,25)(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230844
PNG
(US9340537, 98 | US9896444, Example 98)
Show SMILES OCC[C@H](O)CNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(24-10-12)25-11-14(30)6-8-29/h1-5,7,9-10,14,29-30H,6,8,11H2,(H,24,25)(H,26,28)(H,27,31)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230804
PNG
(US9340537, 58 | US9896444, Example 58)
Show SMILES FCCN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H22ClF3N6O2/c23-22(25,26)34-17-3-1-16(2-4-17)29-21(33)15-13-18(19-5-7-28-30-19)20(27-14-15)32-11-9-31(8-6-24)10-12-32/h1-5,7,13-14H,6,8-12H2,(H,28,30)(H,29,33)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230803
PNG
(US9340537, 57 | US9896444, Example 57)
Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCN(CC3)C3CC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C23H23ClF2N6O2/c24-23(25,26)34-18-5-1-16(2-6-18)29-22(33)15-13-19(20-7-8-28-30-20)21(27-14-15)32-11-9-31(10-12-32)17-3-4-17/h1-2,5-8,13-14,17H,3-4,9-12H2,(H,28,30)(H,29,33)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230776
PNG
(US9340537, 30 | US9896444, Example 30)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc([nH]1)C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C22H18F3N5O3/c23-22(24,25)33-17-4-1-14(2-5-17)29-21(32)13-9-18(19-6-3-15(10-26)28-19)20(27-11-13)30-8-7-16(31)12-30/h1-6,9,11,16,28,31H,7-8,12H2,(H,29,32)/t16-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230816
PNG
(US9340537, 70 | US9896444, Example 70)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ncc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H18F3N5O3/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-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230764
PNG
(US9340537, 18 | US9896444, Example 18)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCOCC3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(29)13-11-16(17-5-6-25-27-17)18(24-12-13)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,25,27)(H,26,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230846
PNG
(US9340537, 100 | US9896444, Example 100)
Show SMILES OCC(O)CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230765
PNG
(US9340537, 19 | US9896444, Example 19)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3N5O3/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230787
PNG
(US9340537, 41 | US9896444, Example 41)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/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
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230765
PNG
(US9340537, 19 | US9896444, Example 19)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3N5O3/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230790
PNG
(US9340537, 44 | US9896444, Example 44)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(c2)-c2cc(n[nH]2)C#N)cc1
Show InChI InChI=1S/C21H17F3N6O2/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-9-17(18-10-15(11-25)28-29-18)19(26-12-13)30-7-1-2-8-30/h3-6,9-10,12H,1-2,7-8H2,(H,27,31)(H,28,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230847
PNG
(US9340537, 101 | US9896444, Example 101)
Show SMILES OC[C@@H](O)CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230784
PNG
(US9340537, 38 | US9896444, Example 38)
Show SMILES CN(C)C1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N6O2/c1-29(2)15-11-30(12-15)19-17(18-7-8-26-28-18)9-13(10-25-19)20(31)27-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,15H,11-12H2,1-2H3,(H,26,28)(H,27,31)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230782
PNG
(US9340537, 36 | US9896444, Example 36)
Show SMILES OCC1CN(CCO1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H20F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230787
PNG
(US9340537, 41 | US9896444, Example 41)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N5O3/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
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230781
PNG
(US9340537, 35 | US9896444, Example 35)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCNC4(CC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C22H21F3N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230781
PNG
(US9340537, 35 | US9896444, Example 35)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCNC4(CC4)C3)c(c2)-c2ccn[nH]2)cc1
Show InChI InChI=1S/C22H21F3N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230752
PNG
(US9340537, 6 | US9896444, Example 6)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O3/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-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230754
PNG
(US9340537, 8 | US9896444, Example 8)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnoc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H17F3N4O4/c21-20(22,23)31-16-3-1-14(2-4-16)26-19(29)12-7-17(13-9-25-30-11-13)18(24-8-12)27-6-5-15(28)10-27/h1-4,7-9,11,15,28H,5-6,10H2,(H,26,29)/t15-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230755
PNG
(US9340537, 9 | US9896444, Example 9)
Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H17F3N4O3S/c21-20(22,23)30-15-3-1-13(2-4-15)26-18(29)12-9-16(19-24-6-8-31-19)17(25-10-12)27-7-5-14(28)11-27/h1-4,6,8-10,14,28H,5,7,11H2,(H,26,29)/t14-/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230763
PNG
(US9340537, 17 | US9896444, Example 17)
Show SMILES OC[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C21H19F3N4O4S/c22-21(23,24)32-15-3-1-14(2-4-15)27-20(31)12-5-16(18-7-25-11-33-18)19(26-6-12)28-8-13(10-29)17(30)9-28/h1-7,11,13,17,29-30H,8-10H2,(H,27,31)/t13-,17+/s2
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230772
PNG
(US9340537, 26 | US9896444, Example 26)
Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230848
PNG
(US9340537, 102 | US9896444, Example 102)
Show SMILES OC[C@H](O)CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1/C20H20ClF2N5O4/c21-20(22,23)32-15-3-1-13(2-4-15)27-19(31)12-9-16(17-6-8-26-28-17)18(25-10-12)24-7-5-14(30)11-29/h1-4,6,8-10,14,29-30H,5,7,11H2,(H,24,25)(H,26,28)(H,27,31)/t14-/s2
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230788
PNG
(US9340537, 42 | US9896444, Example 42)
Show SMILES Cc1cc([nH]n1)-c1cc(cnc1N1CC(CO)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3N5O3/c1-12-6-18(28-27-12)17-7-14(8-25-19(17)29-9-13(10-29)11-30)20(31)26-15-2-4-16(5-3-15)32-21(22,23)24/h2-8,13,30H,9-11H2,1H3,(H,26,31)(H,27,28)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230790
PNG
(US9340537, 44 | US9896444, Example 44)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CCCC3)c(c2)-c2cc(n[nH]2)C#N)cc1
Show InChI InChI=1S/C21H17F3N6O2/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-9-17(18-10-15(11-25)28-29-18)19(26-12-13)30-7-1-2-8-30/h3-6,9-10,12H,1-2,7-8H2,(H,27,31)(H,28,29)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230840
PNG
(US9340537, 94 | US9896444, Example 94)
Show SMILES OC(=O)CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C19H16ClF2N5O4/c20-19(21,22)31-13-3-1-12(2-4-13)26-18(30)11-9-14(15-5-8-25-27-15)17(24-10-11)23-7-6-16(28)29/h1-5,8-10H,6-7H2,(H,23,24)(H,25,27)(H,26,30)(H,28,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230805
PNG
(US9340537, 59 | US9896444, Example 59)
Show SMILES FC(F)CN1CCN(CC1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1
Show InChI InChI=1S/C22H21ClF4N6O2/c23-22(26,27)35-16-3-1-15(2-4-16)30-21(34)14-11-17(18-5-6-29-31-18)20(28-12-14)33-9-7-32(8-10-33)13-19(24)25/h1-6,11-12,19H,7-10,13H2,(H,29,31)(H,30,34)
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Assay Description
Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...

US Patent US9896444 (2018)

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


(Homo sapiens (Human))		BDBM230841
PNG
(US9340537, 95 | US9896444, Example 95)
Show SMILES OC(=O)CCNc1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N5O4/c20-19(21,22)31-13-3-1-12(2-4-13)26-18(30)11-9-14(15-5-8-25-27-15)17(24-10-11)23-7-6-16(28)29/h1-5,8-10H,6-7H2,(H,23,24)(H,25,27)(H,26,30)(H,28,29)
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Assay Description
Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...

US Patent US9896444 (2018)

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