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Patent code US9000153

Compile Data Set for Download or QSAR
Found 43 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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155085
PNG
(US9000153, 38)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1ccnn1C |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,;-.31,3.24,;-.78,4.71,;-2.32,4.71,;-2.8,3.24,;-4.13,2.47,)|
Show InChI InChI=1S/C23H17FN6O2/c1-28-20-12-26-17-10-21(32-3)15(18-6-7-27-29(18)2)9-14(17)22(20)30(23(28)31)19-5-4-13(11-25)8-16(19)24/h4-10,12H,1-3H3
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US Patent
n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155078
PNG
(US9000153, 31)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(CN)c1cccs1 |(-5.55,-.49,;-4.22,.28,;-2.89,-.49,;-2.89,-2.03,;-1.55,-2.8,;-1.55,-4.34,;-.22,-5.11,;1.11,-4.34,;2.58,-4.81,;3.35,-6.15,;3.48,-3.57,;5.02,-3.57,;2.58,-2.32,;2.98,-.83,;1.89,.25,;2.29,1.74,;3.77,2.14,;4.86,1.05,;4.47,-.44,;5.55,-1.53,;4.17,3.63,;4.57,5.12,;1.11,-2.8,;-.22,-2.03,;-.22,-.49,;-1.55,.28,;-1.55,1.82,;-1.55,3.36,;-2.89,4.13,;-4.22,3.36,;-.22,4.13,;-.22,5.67,;1.25,6.15,;2.15,4.9,;1.25,3.66,)|
Show InChI InChI=1S/C25H20FN5O3S/c1-30-19-13-29-17-10-20(33-2)21(34-22(12-28)23-4-3-7-35-23)9-15(17)24(19)31(25(30)32)18-6-5-14(11-27)8-16(18)26/h3-10,13,22H,12,28H2,1-2H3
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155066
PNG
(US9000153, 19)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1sccc1S(=O)(=O)N1CCOCC1 |(-3.29,-.67,;-1.96,.1,;-.62,-.67,;-.62,-2.21,;.71,-2.98,;.71,-4.52,;2.04,-5.29,;3.38,-4.52,;4.84,-4.99,;5.61,-6.32,;5.75,-3.75,;7.29,-3.75,;4.84,-2.5,;5.24,-1.01,;4.15,.08,;4.55,1.56,;6.04,1.96,;7.13,.87,;6.73,-.61,;7.82,-1.7,;6.44,3.45,;6.84,4.94,;3.38,-2.98,;2.04,-2.21,;2.04,-.67,;.71,.1,;.71,1.64,;-.62,2.41,;-.62,3.95,;.62,4.86,;.15,6.32,;-1.39,6.32,;-1.87,4.86,;-3.36,4.46,;-3.75,5.95,;-2.96,2.97,;-4.84,4.06,;-5.93,5.15,;-7.42,4.75,;-7.82,3.27,;-6.73,2.18,;-5.24,2.58,)|
Show InChI InChI=1S/C28H24FN5O6S2/c1-32-22-15-31-20-13-23(38-2)24(40-16-25-26(5-10-41-25)42(36,37)33-6-8-39-9-7-33)12-18(20)27(22)34(28(32)35)21-4-3-17(14-30)11-19(21)29/h3-5,10-13,15H,6-9,16H2,1-2H3
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155063
PNG
(US9000153, 16)
Show SMILES COCCNC(=O)C(Oc1cc2c3n(-c4ccc(cc4F)C#N)c(=O)n(C)c3cnc2cc1OC)c1ccc(F)cc1 |(-7.4,5.99,;-6.63,4.65,;-5.09,4.65,;-4.32,3.32,;-2.78,3.32,;-2.01,1.98,;-2.78,.65,;-.47,1.98,;.3,.65,;.3,-.89,;1.63,-1.66,;1.63,-3.2,;2.96,-3.97,;4.43,-3.49,;4.83,-2.01,;3.74,-.92,;4.14,.57,;5.62,.97,;6.71,-.12,;6.31,-1.61,;7.4,-2.7,;6.02,2.46,;6.42,3.94,;5.33,-4.74,;6.87,-4.74,;4.43,-5.99,;5.2,-7.32,;2.96,-5.51,;1.63,-6.28,;.3,-5.51,;.3,-3.97,;-1.04,-3.2,;-1.04,-1.66,;-2.37,-.89,;-3.7,-1.66,;.3,3.32,;1.84,3.32,;2.61,4.65,;1.84,5.99,;2.61,7.32,;.3,5.99,;-.47,4.65,)|
Show InChI InChI=1S/C30H25F2N5O5/c1-36-24-16-35-22-14-25(41-3)26(42-28(29(38)34-10-11-40-2)18-5-7-19(31)8-6-18)13-20(22)27(24)37(30(36)39)23-9-4-17(15-33)12-21(23)32/h4-9,12-14,16,28H,10-11H2,1-3H3,(H,34,38)
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155090
PNG
(US9000153, 43)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1\C=C\c1ccccc1 |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-2.89,2.06,;-2.89,3.6,;-1.55,4.37,;-1.55,5.91,;-2.89,6.68,;-4.22,5.91,;-4.22,4.37,)|
Show InChI InChI=1S/C27H19FN4O2/c1-31-24-16-30-22-14-25(34-2)19(10-8-17-6-4-3-5-7-17)13-20(22)26(24)32(27(31)33)23-11-9-18(15-29)12-21(23)28/h3-14,16H,1-2H3/b10-8+
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155089
PNG
(US9000153, 42)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1CCc1ccsc1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;1.89,.08,;2.29,1.56,;3.77,1.96,;4.86,.87,;4.47,-.61,;5.55,-1.7,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-1.64,4.86,;-2.12,6.32,;-3.66,6.32,;-4.13,4.86,)|
Show InChI InChI=1S/C25H19FN4O2S/c1-29-22-13-28-20-11-23(32-2)17(5-3-15-7-8-33-14-15)10-18(20)24(22)30(25(29)31)21-6-4-16(12-27)9-19(21)26/h4,6-11,13-14H,3,5H2,1-2H3
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155087
PNG
(US9000153, 40)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cc(nn1C)C(F)(F)F |(-5.55,-.84,;-4.22,-.07,;-2.89,-.84,;-2.89,-2.38,;-1.55,-3.15,;-1.55,-4.69,;-.22,-5.46,;1.11,-4.69,;2.58,-5.17,;3.35,-6.5,;3.48,-3.92,;5.02,-3.92,;2.58,-2.68,;2.98,-1.19,;1.89,-.1,;2.29,1.39,;3.77,1.78,;4.86,.7,;4.47,-.79,;5.55,-1.88,;4.17,3.27,;4.57,4.76,;1.11,-3.15,;-.22,-2.38,;-.22,-.84,;-1.55,-.07,;-1.55,1.47,;-.31,2.37,;-.78,3.84,;-2.32,3.84,;-2.8,2.37,;-4.13,1.6,;-.01,5.17,;-.78,6.5,;1.32,5.94,;1.32,4.4,)|
Show InChI InChI=1S/C24H16F4N6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25/h4-9,11H,1-3H3
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n/an/a 0.300n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155079
PNG
(US9000153, 32)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(CN)c1ccc(F)cc1 |(-5.55,-.64,;-4.22,.13,;-2.89,-.64,;-2.89,-2.18,;-1.55,-2.95,;-1.55,-4.49,;-.22,-5.26,;1.11,-4.49,;2.58,-4.96,;3.35,-6.29,;3.48,-3.72,;5.02,-3.72,;2.58,-2.47,;2.98,-.98,;1.89,.11,;2.29,1.59,;3.77,1.99,;4.86,.9,;4.47,-.58,;5.55,-1.67,;4.17,3.48,;4.57,4.97,;1.11,-2.95,;-.22,-2.18,;-.22,-.64,;-1.55,.13,;-1.55,1.67,;-1.55,3.21,;-2.89,3.98,;-4.22,3.21,;-.22,3.98,;1.11,3.21,;2.45,3.98,;2.45,5.52,;3.78,6.29,;1.11,6.29,;-.22,5.52,)|
Show InChI InChI=1S/C27H21F2N5O3/c1-33-22-14-32-20-11-23(36-2)24(37-25(13-31)16-4-6-17(28)7-5-16)10-18(20)26(22)34(27(33)35)21-8-3-15(12-30)9-19(21)29/h3-11,14,25H,13,31H2,1-2H3
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n/an/a 0.75n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155049
PNG
(US9000153, 2)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C20H16N4O3/c1-23-16-11-22-15-9-18(27-3)17(26-2)8-14(15)19(16)24(20(23)25)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155055
PNG
(US9000153, 8)
Show SMILES COc1cc2ncc3[nH]c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccccc1 |(-5.55,-1.54,;-4.22,-.77,;-2.89,-1.54,;-2.89,-3.08,;-1.55,-3.85,;-1.55,-5.39,;-.22,-6.16,;1.11,-5.39,;2.58,-5.87,;3.48,-4.62,;5.02,-4.62,;2.58,-3.37,;2.98,-1.89,;1.89,-.8,;2.29,.69,;3.77,1.09,;4.86,-0,;4.47,-1.49,;5.55,-2.58,;4.17,2.58,;4.57,4.06,;1.11,-3.85,;-.22,-3.08,;-.22,-1.54,;-1.55,-.77,;-1.55,.77,;-2.89,1.54,;-2.89,3.08,;-1.55,3.85,;-1.55,5.39,;-2.89,6.16,;-4.22,5.39,;-4.22,3.85,)|
Show InChI InChI=1S/C25H17FN4O3/c1-32-22-11-19-17(10-23(22)33-14-15-5-3-2-4-6-15)24-20(13-28-19)29-25(31)30(24)21-8-7-16(12-27)9-18(21)26/h2-11,13H,14H2,1H3,(H,29,31)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155070
PNG
(US9000153, 23)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccc(F)cc1Cl |(-5.55,-1.79,;-4.22,-1.02,;-2.89,-1.79,;-2.89,-3.33,;-1.55,-4.1,;-1.55,-5.64,;-.22,-6.41,;1.11,-5.64,;2.58,-6.12,;3.35,-7.45,;3.48,-4.87,;5.02,-4.87,;2.58,-3.62,;2.98,-2.14,;1.89,-1.05,;2.29,.44,;3.77,.84,;4.86,-.25,;4.47,-1.74,;5.55,-2.83,;4.17,2.33,;4.57,3.81,;1.11,-4.1,;-.22,-3.33,;-.22,-1.79,;-1.55,-1.02,;-1.55,.52,;-2.89,1.29,;-2.89,2.83,;-4.22,3.6,;-4.22,5.14,;-2.89,5.91,;-2.89,7.45,;-1.55,5.14,;-1.55,3.6,;-.22,2.83,)|
Show InChI InChI=1S/C26H17ClF2N4O3/c1-32-22-12-31-20-10-23(35-2)24(36-13-15-4-5-16(28)8-18(15)27)9-17(20)25(22)33(26(32)34)21-6-3-14(11-30)7-19(21)29/h3-10,12H,13H2,1-2H3
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US Patent
n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155051
PNG
(US9000153, 4)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1O |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,)|
Show InChI InChI=1S/C19H13FN4O3/c1-23-15-9-22-13-7-17(27-2)16(25)6-11(13)18(15)24(19(23)26)14-4-3-10(8-21)5-12(14)20/h3-7,9,25H,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155060
PNG
(US9000153, 13)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccsc1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;1.89,.08,;2.29,1.56,;3.77,1.96,;4.86,.87,;4.47,-.61,;5.55,-1.7,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-4.13,4.86,;-3.66,6.32,;-2.12,6.32,;-1.64,4.86,)|
Show InChI InChI=1S/C24H17FN4O3S/c1-28-20-11-27-18-9-21(31-2)22(32-12-15-5-6-33-13-15)8-16(18)23(20)29(24(28)30)19-4-3-14(10-26)7-17(19)25/h3-9,11,13H,12H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155064
PNG
(US9000153, 17)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccc(F)cc1 |(-5.55,-1.79,;-4.22,-1.02,;-2.89,-1.79,;-2.89,-3.33,;-1.55,-4.1,;-1.55,-5.64,;-.22,-6.41,;1.11,-5.64,;2.58,-6.12,;3.35,-7.45,;3.48,-4.87,;5.02,-4.87,;2.58,-3.62,;2.98,-2.14,;1.89,-1.05,;2.29,.44,;3.77,.84,;4.86,-.25,;4.47,-1.74,;5.55,-2.83,;4.17,2.33,;4.57,3.81,;1.11,-4.1,;-.22,-3.33,;-.22,-1.79,;-1.55,-1.02,;-1.55,.52,;-2.89,1.29,;-2.89,2.83,;-1.55,3.6,;-1.55,5.14,;-2.89,5.91,;-2.89,7.45,;-4.22,5.14,;-4.22,3.6,)|
Show InChI InChI=1S/C26H18F2N4O3/c1-31-22-13-30-20-11-23(34-2)24(35-14-15-3-6-17(27)7-4-15)10-18(20)25(22)32(26(31)33)21-8-5-16(12-29)9-19(21)28/h3-11,13H,14H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155068
PNG
(US9000153, 21)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccccc1Br |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-2.89,2.06,;-2.89,3.6,;-4.22,4.37,;-4.22,5.91,;-2.89,6.68,;-1.55,5.91,;-1.55,4.37,;-.22,3.6,)|
Show InChI InChI=1S/C26H18BrFN4O3/c1-31-22-13-30-20-11-23(34-2)24(35-14-16-5-3-4-6-18(16)27)10-17(20)25(22)32(26(31)33)21-8-7-15(12-29)9-19(21)28/h3-11,13H,14H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155082
PNG
(US9000153, 35)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cnc2ccccc2c1 |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-.22,2.06,;-.22,3.6,;-1.55,4.37,;-1.55,5.91,;-2.89,6.68,;-4.22,5.91,;-4.22,4.37,;-2.89,3.6,;-2.89,2.06,)|
Show InChI InChI=1S/C28H18FN5O2/c1-33-25-15-32-23-12-26(36-2)19(18-10-17-5-3-4-6-22(17)31-14-18)11-20(23)27(25)34(28(33)35)24-8-7-16(13-30)9-21(24)29/h3-12,14-15H,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155084
PNG
(US9000153, 37)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cn[nH]c1 |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,;-.31,3.24,;-.78,4.71,;-2.32,4.71,;-2.8,3.24,)|
Show InChI InChI=1S/C22H15FN6O2/c1-28-19-11-25-17-7-20(31-2)14(13-9-26-27-10-13)6-15(17)21(19)29(22(28)30)18-4-3-12(8-24)5-16(18)23/h3-7,9-11H,1-2H3,(H,26,27)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155062
PNG
(US9000153, 15)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(C(N)=O)c1ccc(F)cc1 |(-5.55,-1.66,;-4.22,-.89,;-2.89,-1.66,;-2.89,-3.2,;-1.55,-3.97,;-1.55,-5.51,;-.22,-6.28,;1.11,-5.51,;2.58,-5.99,;3.35,-7.32,;3.48,-4.74,;5.02,-4.74,;2.58,-3.49,;2.98,-2.01,;1.89,-.92,;2.29,.57,;3.77,.97,;4.86,-.12,;4.47,-1.61,;5.55,-2.7,;4.17,2.46,;4.57,3.94,;1.11,-3.97,;-.22,-3.2,;-.22,-1.66,;-1.55,-.89,;-1.55,.65,;-2.32,1.98,;-3.86,1.98,;-4.63,3.32,;-4.63,.65,;-1.55,3.32,;-.01,3.32,;.76,4.65,;-.01,5.99,;.76,7.32,;-1.55,5.99,;-2.32,4.65,)|
Show InChI InChI=1S/C27H19F2N5O4/c1-33-21-13-32-19-11-22(37-2)23(38-25(26(31)35)15-4-6-16(28)7-5-15)10-17(19)24(21)34(27(33)36)20-8-3-14(12-30)9-18(20)29/h3-11,13,25H,1-2H3,(H2,31,35)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155077
PNG
(US9000153, 30)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1cncs1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;1.89,.08,;2.29,1.56,;3.77,1.96,;4.86,.87,;4.47,-.61,;5.55,-1.7,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-4.13,4.86,;-3.66,6.32,;-2.12,6.32,;-1.64,4.86,)|
Show InChI InChI=1S/C23H16FN5O3S/c1-28-19-10-27-17-7-20(31-2)21(32-11-14-9-26-12-33-14)6-15(17)22(19)29(23(28)30)18-4-3-13(8-25)5-16(18)24/h3-7,9-10,12H,11H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155048
PNG
(US9000153, 1)
Show SMILES COc1cc2ncc3[nH]c(=O)n(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C19H14N4O3/c1-25-16-7-13-14(8-17(16)26-2)21-10-15-18(13)23(19(24)22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,24)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155052
PNG
(US9000153, 5)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1O |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;4.47,.08,;5.55,-1.01,;4.86,1.57,;3.77,2.66,;2.29,2.26,;1.89,.77,;.4,.37,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,)|
Show InChI InChI=1S/C19H12F2N4O3/c1-24-14-8-23-13-6-16(28-2)15(26)5-10(13)17(14)25(19(24)27)18-11(20)3-9(7-22)4-12(18)21/h3-6,8,26H,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155057
PNG
(US9000153, 10)
Show SMILES COc1cc2ncc3[nH]c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OCc1ccccc1 |(-5.55,-1.54,;-4.22,-.77,;-2.89,-1.54,;-2.89,-3.08,;-1.55,-3.85,;-1.55,-5.39,;-.22,-6.16,;1.11,-5.39,;2.58,-5.87,;3.48,-4.62,;5.02,-4.62,;2.58,-3.37,;2.98,-1.89,;4.47,-1.49,;5.55,-2.58,;4.86,-0,;3.77,1.09,;2.29,.69,;1.89,-.8,;.4,-1.2,;4.17,2.58,;4.57,4.06,;1.11,-3.85,;-.22,-3.08,;-.22,-1.54,;-1.55,-.77,;-1.55,.77,;-2.89,1.54,;-2.89,3.08,;-1.55,3.85,;-1.55,5.39,;-2.89,6.16,;-4.22,5.39,;-4.22,3.85,)|
Show InChI InChI=1S/C25H16F2N4O3/c1-33-21-10-19-16(9-22(21)34-13-14-5-3-2-4-6-14)23-20(12-29-19)30-25(32)31(23)24-17(26)7-15(11-28)8-18(24)27/h2-10,12H,13H2,1H3,(H,30,32)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155067
PNG
(US9000153, 20)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccncc1 |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-2.89,2.06,;-2.89,3.6,;-1.55,4.37,;-1.55,5.91,;-2.89,6.68,;-4.22,5.91,;-4.22,4.37,)|
Show InChI InChI=1S/C25H18FN5O3/c1-30-21-13-29-19-11-22(33-2)23(34-14-15-5-7-28-8-6-15)10-17(19)24(21)31(25(30)32)20-4-3-16(12-27)9-18(20)26/h3-11,13H,14H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155073
PNG
(US9000153, 26)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OCc1ccsc1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;4.47,-.61,;5.55,-1.7,;4.86,.87,;3.77,1.96,;2.29,1.56,;1.89,.08,;.4,-.32,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-4.13,4.86,;-3.66,6.32,;-2.12,6.32,;-1.64,4.86,)|
Show InChI InChI=1S/C24H16F2N4O3S/c1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26/h3-8,10,12H,11H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155076
PNG
(US9000153, 29)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4)C#N)c3c2cc1OCc1cccs1
Show InChI InChI=1S/C24H18N4O3S/c1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-11,13H,14H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155086
PNG
(US9000153, 39)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1ccn[nH]1 |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,;-.31,3.24,;-.78,4.71,;-2.32,4.71,;-2.8,3.24,)|
Show InChI InChI=1S/C22H15FN6O2/c1-28-19-11-25-17-9-20(31-2)13(16-5-6-26-27-16)8-14(17)21(19)29(22(28)30)18-4-3-12(10-24)7-15(18)23/h3-9,11H,1-2H3,(H,26,27)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155059
PNG
(US9000153, 12)
Show SMILES COC(=O)n1c2cnc3cc(OC)c(OCc4ccccc4)cc3c2n(-c2ccc(cc2F)C#N)c1=O |(2.29,-8.04,;1.89,-6.56,;2.98,-5.47,;4.47,-5.87,;2.58,-3.98,;1.11,-3.51,;-.22,-4.28,;-1.55,-3.51,;-1.55,-1.97,;-2.89,-1.2,;-2.89,.34,;-4.22,1.11,;-5.55,.34,;-1.55,1.11,;-1.55,2.65,;-2.89,3.42,;-2.89,4.96,;-1.55,5.73,;-1.55,7.27,;-2.89,8.04,;-4.22,7.27,;-4.22,5.73,;-.22,.34,;-.22,-1.2,;1.11,-1.97,;2.58,-1.49,;2.98,-0,;1.89,1.09,;2.29,2.57,;3.77,2.97,;4.86,1.88,;4.47,.4,;5.55,-.69,;4.17,4.46,;4.57,5.95,;3.48,-2.74,;5.02,-2.74,)|
Show InChI InChI=1S/C27H19FN4O5/c1-35-23-12-20-18(11-24(23)37-15-16-6-4-3-5-7-16)25-22(14-30-20)32(27(34)36-2)26(33)31(25)21-9-8-17(13-29)10-19(21)28/h3-12,14H,15H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155065
PNG
(US9000153, 18)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(C(N)=O)c1ccccc1 |(-5.55,-.99,;-4.22,-.22,;-2.89,-.99,;-2.89,-2.53,;-1.55,-3.3,;-1.55,-4.84,;-.22,-5.61,;1.11,-4.84,;2.58,-5.32,;3.35,-6.65,;3.48,-4.07,;5.02,-4.07,;2.58,-2.83,;2.98,-1.34,;1.89,-.25,;2.29,1.24,;3.77,1.64,;4.86,.55,;4.47,-.94,;5.55,-2.03,;4.17,3.12,;4.57,4.61,;1.11,-3.3,;-.22,-2.53,;-.22,-.99,;-1.55,-.22,;-1.55,1.32,;-2.32,2.65,;-3.86,2.65,;-4.63,3.98,;-4.63,1.32,;-1.55,3.98,;-.01,3.98,;.76,5.32,;-.01,6.65,;-1.55,6.65,;-2.32,5.32,)|
Show InChI InChI=1S/C27H20FN5O4/c1-32-21-14-31-19-12-22(36-2)23(37-25(26(30)34)16-6-4-3-5-7-16)11-17(19)24(21)33(27(32)35)20-9-8-15(13-29)10-18(20)28/h3-12,14,25H,1-2H3,(H2,30,34)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155069
PNG
(US9000153, 22)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccc(F)cc1Br |(-5.55,-1.79,;-4.22,-1.02,;-2.89,-1.79,;-2.89,-3.33,;-1.55,-4.1,;-1.55,-5.64,;-.22,-6.41,;1.11,-5.64,;2.58,-6.12,;3.35,-7.45,;3.48,-4.87,;5.02,-4.87,;2.58,-3.62,;2.98,-2.14,;1.89,-1.05,;2.29,.44,;3.77,.84,;4.86,-.25,;4.47,-1.74,;5.55,-2.83,;4.17,2.33,;4.57,3.81,;1.11,-4.1,;-.22,-3.33,;-.22,-1.79,;-1.55,-1.02,;-1.55,.52,;-2.89,1.29,;-2.89,2.83,;-4.22,3.6,;-4.22,5.14,;-2.89,5.91,;-2.89,7.45,;-1.55,5.14,;-1.55,3.6,;-.22,2.83,)|
Show InChI InChI=1S/C26H17BrF2N4O3/c1-32-22-12-31-20-10-23(35-2)24(36-13-15-4-5-16(28)8-18(15)27)9-17(20)25(22)33(26(32)34)21-6-3-14(11-30)7-19(21)29/h3-10,12H,13H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155072
PNG
(US9000153, 25)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OC(C(N)=O)c1ccc(F)cc1 |(-5.55,-1.66,;-4.22,-.89,;-2.89,-1.66,;-2.89,-3.2,;-1.55,-3.97,;-1.55,-5.51,;-.22,-6.28,;1.11,-5.51,;2.58,-5.99,;3.35,-7.32,;3.48,-4.74,;5.02,-4.74,;2.58,-3.49,;2.98,-2.01,;4.47,-1.61,;5.55,-2.7,;4.86,-.12,;3.77,.97,;2.29,.57,;1.89,-.92,;.4,-1.32,;4.17,2.46,;4.57,3.94,;1.11,-3.97,;-.22,-3.2,;-.22,-1.66,;-1.55,-.89,;-1.55,.65,;-2.32,1.98,;-3.86,1.98,;-4.63,3.32,;-4.63,.65,;-1.55,3.32,;-.01,3.32,;.76,4.65,;-.01,5.99,;.76,7.32,;-1.55,5.99,;-2.32,4.65,)|
Show InChI InChI=1S/C27H18F3N5O4/c1-34-20-12-33-19-10-21(38-2)22(39-25(26(32)36)14-3-5-15(28)6-4-14)9-16(19)23(20)35(27(34)37)24-17(29)7-13(11-31)8-18(24)30/h3-10,12,25H,1-2H3,(H2,32,36)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155081
PNG
(US9000153, 34)
Show SMILES COc1ccc(cn1)-c1cc2c3n(-c4ccc(cc4F)C#N)c(=O)n(C)c3cnc2cc1OC |(-.22,6.68,;-1.55,5.91,;-1.55,4.37,;-2.89,3.6,;-2.89,2.06,;-1.55,1.29,;-.22,2.06,;-.22,3.6,;-1.55,-.25,;-.22,-1.02,;-.22,-2.56,;1.11,-3.33,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;3.48,-4.1,;5.02,-4.1,;2.58,-5.35,;3.35,-6.68,;1.11,-4.87,;-.22,-5.64,;-1.55,-4.87,;-1.55,-3.33,;-2.89,-2.56,;-2.89,-1.02,;-4.22,-.25,;-5.55,-1.02,)|
Show InChI InChI=1S/C25H18FN5O3/c1-30-21-13-28-19-10-22(33-2)16(15-5-7-23(34-3)29-12-15)9-17(19)24(21)31(25(30)32)20-6-4-14(11-27)8-18(20)26/h4-10,12-13H,1-3H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155056
PNG
(US9000153, 9)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccccc1 |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;1.89,-.28,;2.29,1.21,;3.77,1.61,;4.86,.52,;4.47,-.97,;5.55,-2.06,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-2.89,2.06,;-2.89,3.6,;-1.55,4.37,;-1.55,5.91,;-2.89,6.68,;-4.22,5.91,;-4.22,4.37,)|
Show InChI InChI=1S/C26H19FN4O3/c1-30-22-14-29-20-12-23(33-2)24(34-15-16-6-4-3-5-7-16)11-18(20)25(22)31(26(30)32)21-9-8-17(13-28)10-19(21)27/h3-12,14H,15H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155074
PNG
(US9000153, 27)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OCc1ccc(F)cc1 |(-5.55,-1.79,;-4.22,-1.02,;-2.89,-1.79,;-2.89,-3.33,;-1.55,-4.1,;-1.55,-5.64,;-.22,-6.41,;1.11,-5.64,;2.58,-6.12,;3.35,-7.45,;3.48,-4.87,;5.02,-4.87,;2.58,-3.62,;2.98,-2.14,;4.47,-1.74,;5.55,-2.83,;4.86,-.25,;3.77,.84,;2.29,.44,;1.89,-1.05,;.4,-1.45,;4.17,2.33,;4.57,3.81,;1.11,-4.1,;-.22,-3.33,;-.22,-1.79,;-1.55,-1.02,;-1.55,.52,;-2.89,1.29,;-2.89,2.83,;-1.55,3.6,;-1.55,5.14,;-2.89,5.91,;-2.89,7.45,;-4.22,5.14,;-4.22,3.6,)|
Show InChI InChI=1S/C26H17F3N4O3/c1-32-21-12-31-20-10-22(35-2)23(36-13-14-3-5-16(27)6-4-14)9-17(20)24(21)33(26(32)34)25-18(28)7-15(11-30)8-19(25)29/h3-10,12H,13H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155080
PNG
(US9000153, 33)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cccnc1 |(-5.55,.03,;-4.22,.8,;-2.89,.03,;-2.89,-1.51,;-1.55,-2.28,;-1.55,-3.82,;-.22,-4.59,;1.11,-3.82,;2.58,-4.3,;3.35,-5.63,;3.48,-3.05,;5.02,-3.05,;2.58,-1.81,;2.98,-.32,;1.89,.77,;2.29,2.26,;3.77,2.66,;4.86,1.57,;4.47,.08,;5.55,-1.01,;4.17,4.14,;4.57,5.63,;1.11,-2.28,;-.22,-1.51,;-.22,.03,;-1.55,.8,;-1.55,2.34,;-2.89,3.11,;-2.89,4.65,;-1.55,5.42,;-.22,4.65,;-.22,3.11,)|
Show InChI InChI=1S/C24H16FN5O2/c1-29-21-13-28-19-10-22(32-2)16(15-4-3-7-27-12-15)9-17(19)23(21)30(24(29)31)20-6-5-14(11-26)8-18(20)25/h3-10,12-13H,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155083
PNG
(US9000153, 36)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cnn(C)c1 |(-5.55,-.18,;-4.22,.59,;-2.89,-.18,;-2.89,-1.72,;-1.55,-2.49,;-1.55,-4.03,;-.22,-4.8,;1.11,-4.03,;2.58,-4.5,;3.35,-5.84,;3.48,-3.26,;5.02,-3.26,;2.58,-2.01,;2.98,-.52,;1.89,.57,;2.29,2.05,;3.77,2.45,;4.86,1.36,;4.47,-.12,;5.55,-1.21,;4.17,3.94,;4.57,5.43,;1.11,-2.49,;-.22,-1.72,;-.22,-.18,;-1.55,.59,;-1.55,2.13,;-.31,3.04,;-.78,4.5,;-2.32,4.5,;-3.09,5.84,;-2.8,3.04,)|
Show InChI InChI=1S/C23H17FN6O2/c1-28-12-14(10-27-28)15-7-16-18(8-21(15)32-3)26-11-20-22(16)30(23(31)29(20)2)19-5-4-13(9-25)6-17(19)24/h4-8,10-12H,1-3H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155075
PNG
(US9000153, 28)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OCc1cccs1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;4.47,-.61,;5.55,-1.7,;4.86,.87,;3.77,1.96,;2.29,1.56,;1.89,.08,;.4,-.32,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-4.13,4.86,;-3.66,6.32,;-2.12,6.32,;-1.64,4.86,)|
Show InChI InChI=1S/C24H16F2N4O3S/c1-29-19-11-28-18-9-20(32-2)21(33-12-14-4-3-5-34-14)8-15(18)22(19)30(24(29)31)23-16(25)6-13(10-27)7-17(23)26/h3-9,11H,12H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155071
PNG
(US9000153, 24)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1ccc(F)c(Cl)c1 |(-5.55,-1.79,;-4.22,-1.02,;-2.89,-1.79,;-2.89,-3.33,;-1.55,-4.1,;-1.55,-5.64,;-.22,-6.41,;1.11,-5.64,;2.58,-6.12,;3.35,-7.45,;3.48,-4.87,;5.02,-4.87,;2.58,-3.62,;2.98,-2.14,;1.89,-1.05,;2.29,.44,;3.77,.84,;4.86,-.25,;4.47,-1.74,;5.55,-2.83,;4.17,2.33,;4.57,3.81,;1.11,-4.1,;-.22,-3.33,;-.22,-1.79,;-1.55,-1.02,;-1.55,.52,;-2.89,1.29,;-2.89,2.83,;-4.22,3.6,;-4.22,5.14,;-2.89,5.91,;-2.89,7.45,;-1.55,5.14,;-.22,5.91,;-1.55,3.6,)|
Show InChI InChI=1S/C26H17ClF2N4O3/c1-32-22-12-31-20-10-23(35-2)24(36-13-15-3-5-18(28)17(27)7-15)9-16(20)25(22)33(26(32)34)21-6-4-14(11-30)8-19(21)29/h3-10,12H,13H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155088
PNG
(US9000153, 41)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1\C=C\c1ccsc1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;1.89,.08,;2.29,1.56,;3.77,1.96,;4.86,.87,;4.47,-.61,;5.55,-1.7,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-1.64,4.86,;-2.12,6.32,;-3.66,6.32,;-4.13,4.86,)|
Show InChI InChI=1S/C25H17FN4O2S/c1-29-22-13-28-20-11-23(32-2)17(5-3-15-7-8-33-14-15)10-18(20)24(22)30(25(29)31)21-6-4-16(12-27)9-19(21)26/h3-11,13-14H,1-2H3/b5-3+
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155061
PNG
(US9000153, 14)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1cccs1 |(-5.55,-.67,;-4.22,.1,;-2.89,-.67,;-2.89,-2.21,;-1.55,-2.98,;-1.55,-4.52,;-.22,-5.29,;1.11,-4.52,;2.58,-4.99,;3.35,-6.32,;3.48,-3.75,;5.02,-3.75,;2.58,-2.5,;2.98,-1.01,;1.89,.08,;2.29,1.56,;3.77,1.96,;4.86,.87,;4.47,-.61,;5.55,-1.7,;4.17,3.45,;4.57,4.94,;1.11,-2.98,;-.22,-2.21,;-.22,-.67,;-1.55,.1,;-1.55,1.64,;-2.89,2.41,;-2.89,3.95,;-4.13,4.86,;-3.66,6.32,;-2.12,6.32,;-1.64,4.86,)|
Show InChI InChI=1S/C24H17FN4O3S/c1-28-20-12-27-18-10-21(31-2)22(32-13-15-4-3-7-33-15)9-16(18)23(20)29(24(28)30)19-6-5-14(11-26)8-17(19)25/h3-10,12H,13H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155058
PNG
(US9000153, 11)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cc(cc4F)C#N)c3c2cc1OCc1ccccc1 |(-5.55,-1.02,;-4.22,-.25,;-2.89,-1.02,;-2.89,-2.56,;-1.55,-3.33,;-1.55,-4.87,;-.22,-5.64,;1.11,-4.87,;2.58,-5.35,;3.35,-6.68,;3.48,-4.1,;5.02,-4.1,;2.58,-2.85,;2.98,-1.37,;4.47,-.97,;5.55,-2.06,;4.86,.52,;3.77,1.61,;2.29,1.21,;1.89,-.28,;.4,-.68,;4.17,3.1,;4.57,4.58,;1.11,-3.33,;-.22,-2.56,;-.22,-1.02,;-1.55,-.25,;-1.55,1.29,;-2.89,2.06,;-2.89,3.6,;-1.55,4.37,;-1.55,5.91,;-2.89,6.68,;-4.22,5.91,;-4.22,4.37,)|
Show InChI InChI=1S/C26H18F2N4O3/c1-31-21-13-30-20-11-22(34-2)23(35-14-15-6-4-3-5-7-15)10-17(20)24(21)32(26(31)33)25-18(27)8-16(12-29)9-19(25)28/h3-11,13H,14H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155054
PNG
(US9000153, 7)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4)C#N)c3c2cc1OCc1ccccc1
Show InChI InChI=1S/C26H20N4O3/c1-29-22-15-28-21-13-23(32-2)24(33-16-18-6-4-3-5-7-18)12-20(21)25(22)30(26(29)31)19-10-8-17(14-27)9-11-19/h3-13,15H,16H2,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155050
PNG
(US9000153, 3)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4)C#N)c3c2cc1O
Show InChI InChI=1S/C19H14N4O3/c1-22-15-10-21-14-8-17(26-2)16(24)7-13(14)18(15)23(19(22)25)12-5-3-11(9-20)4-6-12/h3-8,10,24H,1-2H3
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM155053
PNG
(US9000153, 6)
Show SMILES COc1cc2ncc3[nH]c(=O)n(-c4ccc(cc4)C#N)c3c2cc1OCc1ccccc1
Show InChI InChI=1S/C25H18N4O3/c1-31-22-12-20-19(11-23(22)32-15-17-5-3-2-4-6-17)24-21(14-27-20)28-25(30)29(24)18-9-7-16(13-26)8-10-18/h2-12,14H,15H2,1H3,(H,28,30)
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n/an/a<100n/an/an/an/a7.425



Merck Patent GmbH

US Patent


Assay Description
The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...

US Patent US9000153 (2015)


BindingDB Entry DOI: 10.7270/Q2Z89B4D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%