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Patent code US11065253

Compile Data Set for Download or QSAR

Found 471 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315828
PNG
(US10172859, Example 249 | US10172859, Example 250 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H20ClF2N5O3/c1-34-24-22(28-2-3-29-24)23(33)14-10-15(17(26)11-16(14)25)21-20-18(27)8-13(9-19(20)30-12-31-21)32-4-6-35-7-5-32/h2-3,8-12,23,33H,4-7H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315843
PNG
(US10172859, Example 264 | US11065253, Example 264 ...)
Show SMILES Cc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O2S/c1-12-19(26-3-2-25-12)21(30)13-8-14(16(24)9-15(13)23)20-22-17(27-11-28-20)10-18(32-22)29-4-6-31-7-5-29/h2-3,8-11,21,30H,4-7H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315912
PNG
(US10172859, Example 336 | US11065253, Example 336 ...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccoc12
Show InChI InChI=1S/C25H19F2N5O3/c26-19-11-20(27)18(24(33)23-25-14(3-6-35-25)12-30-31-23)10-17(19)22-16-2-1-15(9-21(16)28-13-29-22)32-4-7-34-8-5-32/h1-3,6,9-13,24,33H,4-5,7-8H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315939
PNG
(6-{[2-Chloro-5-(7- morpholin-4-yl- quinazolin-4-yl...)
Show SMILES Cn1c(cccc1=O)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23ClN4O3/c1-29-22(3-2-4-23(29)31)25(32)19-13-16(5-8-20(19)26)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM316019
PNG
(US10172859, Example 442 | US10172859, Example 443 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Show InChI InChI=1S/C25H20FN5O3/c26-19-4-1-15(24(32)23-25-20(5-8-34-25)27-13-30-23)11-18(19)22-17-3-2-16(12-21(17)28-14-29-22)31-6-9-33-10-7-31/h1-5,8,11-14,24,32H,6-7,9-10H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315579
PNG
(US10172859, Example 6 | US11065253, Example 6 | US...)
Show SMILES COc1nnc(Cl)cc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H20Cl2FN5O3/c1-34-24-17(10-21(26)30-31-24)23(33)15-9-16(19(27)11-18(15)25)22-14-3-2-13(8-20(14)28-12-29-22)32-4-6-35-7-5-32/h2-3,8-12,23,33H,4-7H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315588
PNG
(US10172859, Example 15 | US10172859, Example 16 | ...)
Show SMILES COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)15-2-5-19(25)18(12-15)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315594
PNG
(US10172859, Example 20 | US10172859, Example 21 | ...)
Show SMILES OC(c1ccc2nccn2n1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H20F2N6O2/c26-19-13-20(27)18(25(34)21-3-4-23-28-5-6-33(23)31-21)12-17(19)24-16-2-1-15(11-22(16)29-14-30-24)32-7-9-35-10-8-32/h1-6,11-14,25,34H,7-10H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315588
PNG
(US10172859, Example 15 | US10172859, Example 16 | ...)
Show SMILES COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-22(26-6-7-27-24)23(31)15-2-5-19(25)18(12-15)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315616
PNG
((3-Chloro-pyridin-2-yl)- [4-fluoro-3-(7- morpholin...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
Show InChI InChI=1S/C24H20ClFN4O2/c25-19-2-1-7-27-23(19)24(31)15-3-6-20(26)18(12-15)22-17-5-4-16(13-21(17)28-14-29-22)30-8-10-32-11-9-30/h1-7,12-14,24,31H,8-11H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315623
PNG
((6-Chloro-pyridazin-3- yl)-[2,4-difluoro-5-(7- mor...)
Show SMILES OC(c1ccc(Cl)nn1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H18ClF2N5O2/c24-21-4-3-19(29-30-21)23(32)16-10-15(17(25)11-18(16)26)22-14-2-1-13(9-20(14)27-12-28-22)31-5-7-33-8-6-31/h1-4,9-12,23,32H,5-8H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315647
PNG
((S)-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-y...)
Show SMILES COc1ccc(nn1)[C@@H](O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-22-7-6-20(28-29-22)24(31)15-2-5-19(25)18(12-15)23-17-4-3-16(13-21(17)26-14-27-23)30-8-10-33-11-9-30/h2-7,12-14,24,31H,8-11H2,1H3/t24-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315721
PNG
(US10172859, Example 142 | US11065253, Example 142 ...)
Show SMILES OCc1csc(n1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315764
PNG
((S)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES OCc1csc(n1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H20ClFN4O3S/c24-18-9-19(25)17(8-16(18)22(31)23-28-13(10-30)11-33-23)21-15-2-1-14(7-20(15)26-12-27-21)29-3-5-32-6-4-29/h1-2,7-9,11-12,22,30-31H,3-6,10H2/t22-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315653
PNG
(US10172859, Example 226 | US10172859, Example 238 ...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O2/c1-15-22(27-7-6-26-15)24(31)16-2-5-20(25)19(12-16)23-18-4-3-17(13-21(18)28-14-29-23)30-8-10-32-11-9-30/h2-7,12-14,24,31H,8-11H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315705
PNG
(US10172859, Example 129 | US10172859, Example 137 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315824
PNG
(US10172859, Example 245 | US10172859, Example 246 ...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H20FN5O2S/c1-13-19(25-5-4-24-13)21(29)14-2-3-16(23)15(10-14)20-22-17(26-12-27-20)11-18(31-22)28-6-8-30-9-7-28/h2-5,10-12,21,29H,6-9H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315828
PNG
(US10172859, Example 249 | US10172859, Example 250 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H20ClF2N5O3/c1-34-24-22(28-2-3-29-24)23(33)14-10-15(17(26)11-16(14)25)21-20-18(27)8-13(9-19(20)30-12-31-21)32-4-6-35-7-5-32/h2-3,8-12,23,33H,4-7H2,1H3
PDB

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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315842
PNG
(US10172859, Example 263 | US10172859, Example 271 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H20ClF2N5O3/c1-34-21-3-2-19(30-31-21)24(33)14-10-15(17(26)11-16(14)25)23-22-18(27)8-13(9-20(22)28-12-29-23)32-4-6-35-7-5-32/h2-3,8-12,24,33H,4-7H2,1H3
PDB

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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315921
PNG
(US10172859, Example 345 | US11065253, Example 345 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnn2cccc12
Show InChI InChI=1S/C25H21FN6O2/c26-20-6-3-16(25(33)24-22-2-1-7-32(22)30-15-29-24)12-19(20)23-18-5-4-17(13-21(18)27-14-28-23)31-8-10-34-11-9-31/h1-7,12-15,25,33H,8-11H2
PDB

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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315935
PNG
(US10172859, Example 359 | US11065253, Example 359 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccn2cccc12
Show InChI InChI=1S/C26H21ClFN5O2/c27-20-14-21(28)19(13-18(20)26(34)25-23-2-1-6-33(23)7-5-29-25)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315666
PNG
(6-{[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl...)
Show SMILES Cn1c(cccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23FN4O3/c1-29-22(3-2-4-23(29)31)25(32)16-5-8-20(26)19(13-16)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM316006
PNG
(US10172859, Example 429 | US11065253, Example 429 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2sccc12
Show InChI InChI=1S/C25H19ClFN5O2S/c26-19-11-20(27)18(10-17(19)24(33)23-16-3-8-35-25(16)31-13-30-23)22-15-2-1-14(9-21(15)28-12-29-22)32-4-6-34-7-5-32/h1-3,8-13,24,33H,4-7H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315653
PNG
(US10172859, Example 226 | US10172859, Example 238 ...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O2/c1-15-22(27-7-6-26-15)24(31)16-2-5-20(25)19(12-16)23-18-4-3-17(13-21(18)28-14-29-23)30-8-10-32-11-9-30/h2-7,12-14,24,31H,8-11H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315820
PNG
(US10172859, Example 241 | US10172859, Example 242 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-24-22(27-4-5-28-24)23(32)16-11-17(19(26)12-18(16)25)21-15-3-2-14(10-20(15)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315584
PNG
(US10172859, Example 11 | US10172859, Example 12 | ...)
Show SMILES COc1nnccc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O3/c1-32-24-18(6-7-28-29-24)23(31)15-2-5-20(25)19(12-15)22-17-4-3-16(13-21(17)26-14-27-22)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315600
PNG
((3-Chloro-6-methoxy- pyrazin-2-yl)-[4-fluoro- 3-(7...)
Show SMILES COc1cnc(Cl)c(n1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-20-12-27-24(25)22(30-20)23(32)14-2-5-18(26)17(10-14)21-16-4-3-15(11-19(16)28-13-29-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315618
PNG
(6-{[2-Chloro-4-fluoro-5- (7-morpholin-4-yl- quinaz...)
Show SMILES Cn1nc(ccc1=O)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-30-22(32)5-4-20(29-30)24(33)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,33H,6-9H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315594
PNG
(US10172859, Example 20 | US10172859, Example 21 | ...)
Show SMILES OC(c1ccc2nccn2n1)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H20F2N6O2/c26-19-13-20(27)18(25(34)21-3-4-23-28-5-6-33(23)31-21)12-17(19)24-16-2-1-15(11-22(16)29-14-30-24)32-7-9-35-10-8-32/h1-6,11-14,25,34H,7-10H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315666
PNG
(6-{[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl...)
Show SMILES Cn1c(cccc1=O)C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23FN4O3/c1-29-22(3-2-4-23(29)31)25(32)16-5-8-20(26)19(13-16)24-18-7-6-17(14-21(18)27-15-28-24)30-9-11-33-12-10-30/h2-8,13-15,25,32H,9-12H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315667
PNG
(3-[[2-Chloro-4-fluoro-5- (7-morpholino- quinazolin...)
Show SMILES OC(c1ccc(=O)[nH]n1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315675
PNG
(US10172859, Example 100 | US11065253, Example 100 ...)
Show SMILES OC(c1ccc(OC2COC2)nn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H23ClFN5O4/c27-20-11-21(28)19(10-18(20)26(34)22-3-4-24(32-31-22)37-16-12-36-13-16)25-17-2-1-15(9-23(17)29-14-30-25)33-5-7-35-8-6-33/h1-4,9-11,14,16,26,34H,5-8,12-13H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315676
PNG
(2-(6-{[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- qu...)
Show SMILES CC(Oc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)C#N
Show InChI InChI=1S/C26H22ClFN6O3/c1-15(13-29)37-24-5-4-22(32-33-24)26(35)18-11-19(21(28)12-20(18)27)25-17-3-2-16(10-23(17)30-14-31-25)34-6-8-36-9-7-34/h2-5,10-12,14-15,26,35H,6-9H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315687
PNG
(US10172859, Example 112 | US11065253, Example 112 ...)
Show SMILES COCCOc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C26H25ClFN5O4/c1-35-10-11-37-24-5-4-22(31-32-24)26(34)18-13-19(21(28)14-20(18)27)25-17-3-2-16(12-23(17)29-15-30-25)33-6-8-36-9-7-33/h2-5,12-15,26,34H,6-11H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315715
PNG
((S)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES COc1ccc(nn1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315750
PNG
(US10172859, Example 171 | US10172859, Example 178 ...)
Show SMILES OC(c1nccs1)c1cc(F)c(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H18F2N4O2S/c23-17-10-13(21(29)22-25-3-8-31-22)9-16(19(17)24)20-15-2-1-14(11-18(15)26-12-27-20)28-4-6-30-7-5-28/h1-3,8-12,21,29H,4-7H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315738
PNG
(2,2,2-Trifluoro-1-[3- (7-morpholin-4-yl- quinazoli...)
Show SMILES OC(c1nccs1)(c1cccc(c1)-c1ncnc2cc(ccc12)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O2S/c24-23(25,26)22(31,21-27-6-11-33-21)16-3-1-2-15(12-16)20-18-5-4-17(13-19(18)28-14-29-20)30-7-9-32-10-8-30/h1-6,11-14,31H,7-10H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315785
PNG
(US10172859, Example 207 | US10172859, Example 209 ...)
Show SMILES Cc1cc(F)c(cc1C(O)c1nccs1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN4O2S/c1-14-10-19(24)18(12-17(14)22(29)23-25-4-9-31-23)21-16-3-2-15(11-20(16)26-13-27-21)28-5-7-30-8-6-28/h2-4,9-13,22,29H,5-8H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315786
PNG
(US10172859, Example 208 | US10172859, Example 215 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1nc(nc2cc(ccc12)N1CCOCC1)C#C
Show InChI InChI=1S/C24H19FN4O2S/c1-2-21-27-20-14-16(29-8-10-31-11-9-29)4-5-17(20)22(28-21)18-13-15(3-6-19(18)25)23(30)24-26-7-12-32-24/h1,3-7,12-14,23,30H,8-11H2
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315824
PNG
(US10172859, Example 245 | US10172859, Example 246 ...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1
Show InChI InChI=1S/C22H20FN5O2S/c1-13-19(25-5-4-24-13)21(29)14-2-3-16(23)15(10-14)20-22-17(26-12-27-20)11-18(31-22)28-6-8-30-9-7-28/h2-5,10-12,21,29H,6-9H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315653
PNG
(US10172859, Example 226 | US10172859, Example 238 ...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22FN5O2/c1-15-22(27-7-6-26-15)24(31)16-2-5-20(25)19(12-16)23-18-4-3-17(13-21(18)28-14-29-23)30-8-10-32-11-9-30/h2-7,12-14,24,31H,8-11H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315842
PNG
(US10172859, Example 263 | US10172859, Example 271 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H20ClF2N5O3/c1-34-21-3-2-19(30-31-21)24(33)14-10-15(17(26)11-16(14)25)23-22-18(27)8-13(9-20(22)28-12-29-23)32-4-6-35-7-5-32/h2-3,8-12,24,33H,4-7H2,1H3
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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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315908
PNG
(US10172859, Example 332 | US11065253, Example 332 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-20-4-1-15(24(32)23-25-16(5-10-34-25)13-29-30-23)11-19(20)22-18-3-2-17(12-21(18)27-14-28-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315982
PNG
(US10172859, Example 405 | US11065253, Example 405 ...)
Show SMILES OC(c1cc(ccc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(11-18(19)24(32)23-25-20(5-10-34-25)27-13-30-23)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM316015
PNG
(US10172859, Example 438 | US11065253, Example 438 ...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccsc12
Show InChI InChI=1S/C25H20FN5O2S/c26-19-4-1-15(24(32)23-25-20(5-10-34-25)27-13-30-23)11-18(19)22-17-3-2-16(12-21(17)28-14-29-22)31-6-8-33-9-7-31/h1-5,10-14,24,32H,6-9H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM316024
PNG
(US10172859, Example 447 | US11065253, Example 447 ...)
Show SMILES COc1cncnc1C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21ClFN5O3/c1-33-21-11-27-12-29-23(21)24(32)16-9-17(19(26)10-18(16)25)22-15-3-2-14(8-20(15)28-13-30-22)31-4-6-34-7-5-31/h2-3,8-13,24,32H,4-7H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM316025
PNG
(US10172859, Example 448 | US11065253, Example 448 ...)
Show SMILES COc1cncnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-21-11-27-12-29-23(21)24(32)17-9-16(18(25)10-19(17)26)22-15-3-2-14(8-20(15)28-13-30-22)31-4-6-34-7-5-31/h2-3,8-13,24,32H,4-7H2,1H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315597
PNG
((3-Chloro-pyrazin-2-yl)- [4-fluoro-3-(6- morpholin...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(sc12)N1CCOCC1)c1nccnc1Cl
Show InChI InChI=1S/C21H17ClFN5O2S/c22-21-18(24-3-4-25-21)19(29)12-1-2-14(23)13(9-12)17-20-15(26-11-27-17)10-16(31-20)28-5-7-30-8-6-28/h1-4,9-11,19,29H,5-8H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315603
PNG
(US10172859, Example 29 | US10172859, Example 30 | ...)
Show SMILES OC(c1cccnn1)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C23H19ClFN5O2/c24-18-12-19(25)17(11-16(18)23(31)20-2-1-5-28-29-20)22-15-4-3-14(10-21(15)26-13-27-22)30-6-8-32-9-7-30/h1-5,10-13,23,31H,6-9H2
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM315663
PNG
(US10172859, Example 88 | US11065253, Example 88 | ...)
Show SMILES Cc1cnc(C)c(n1)C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H23F2N5O2/c1-14-12-28-15(2)23(31-14)25(33)19-10-18(20(26)11-21(19)27)24-17-4-3-16(9-22(17)29-13-30-24)32-5-7-34-8-6-32/h3-4,9-13,25,33H,5-8H2,1-2H3
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n/an/a<3n/an/an/an/an/an/a



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 DNA-PK/protein complex and 100 n...


US Patent US11065253 (2021)

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