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Found 471 hits of Enz. Inhib. data with enzyme = 'DNA-dependent protein kinase' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM316017
PNG
(US10172859, Example 440 | US10172859, Example 441 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Show InChI InChI=1S/C25H19ClFN5O3/c26-18-11-19(27)17(10-16(18)24(33)23-25-20(3-6-35-25)28-12-31-23)22-15-2-1-14(9-21(15)29-13-30-22)32-4-7-34-8-5-32/h1-3,6,9-13,24,33H,4-5,7-8H2
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 US10172859 (2019)

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


(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
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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316021
PNG
(US10172859, Example 444 | US10172859, Example 445 ...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Show InChI InChI=1S/C25H19F2N5O3/c26-18-11-19(27)17(24(33)23-25-20(3-6-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-7-34-8-5-32/h1-3,6,9-13,24,33H,4-5,7-8H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316021
PNG
(US10172859, Example 444 | US10172859, Example 445 ...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Show InChI InChI=1S/C25H19F2N5O3/c26-18-11-19(27)17(24(33)23-25-20(3-6-35-25)28-12-31-23)10-16(18)22-15-2-1-14(9-21(15)29-13-30-22)32-4-7-34-8-5-32/h1-3,6,9-13,24,33H,4-5,7-8H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316024
PNG
(US10172859, Example 447 | [2-Chloro-4-fluoro-5- (7...)
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
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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316025
PNG
(US10172859, Example 448 | [2,4-Difluoro-5-(7- morp...)
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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316027
PNG
((3-Difluoromethoxy- pyrazin-2-yl)-[2,4- difluoro-5...)
Show SMILES OC(c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccnc1OC(F)F
Show InChI InChI=1S/C24H19F4N5O3/c25-17-11-18(26)16(22(34)21-23(36-24(27)28)30-4-3-29-21)10-15(17)20-14-2-1-13(9-19(14)31-12-32-20)33-5-7-35-8-6-33/h1-4,9-12,22,24,34H,5-8H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316017
PNG
(US10172859, Example 440 | US10172859, Example 441 ...)
Show SMILES OC(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncnc2ccoc12
Show InChI InChI=1S/C25H19ClFN5O3/c26-18-11-19(27)17(10-16(18)24(33)23-25-20(3-6-35-25)28-12-31-23)22-15-2-1-14(9-21(15)29-13-30-22)32-4-7-34-8-5-32/h1-3,6,9-13,24,33H,4-5,7-8H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316031
PNG
(US10172859, Example 453 | US10172859, Example 454 ...)
Show SMILES COc1nccnc1C(O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316033
PNG
((R)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES COc1nccnc1[C@H](O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)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/t23-/m1/s1
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316034
PNG
((S)-[2-Chloro-4- fluoro-5-(7- morpholin-4-yl- quin...)
Show SMILES COc1nccnc1[C@@H](O)c1cc(c(F)cc1F)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)17-11-16(18(25)12-19(17)26)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/t23-/m0/s1
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316036
PNG
(US10172859, Example 458 | US10172859, Example 459 ...)
Show SMILES COc1ccc(nn1)C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C24H22ClN5O3/c1-32-22-7-6-20(28-29-22)24(31)18-12-15(2-5-19(18)25)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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316039
PNG
(US10172859, Example 461 | [4-Fluoro-3-(7- morpholi...)
Show SMILES Cn1cnc2ccnc(C(O)c3ccc(F)c(c3)-c3ncnc4cc(ccc34)N3CCOCC3)c12
Show InChI InChI=1S/C26H23FN6O2/c1-32-15-31-21-6-7-28-24(25(21)32)26(34)16-2-5-20(27)19(12-16)23-18-4-3-17(13-22(18)29-14-30-23)33-8-10-35-11-9-33/h2-7,12-15,26,34H,8-11H2,1H3
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316040
PNG
(US10172859, Example 462 | [4-Fluoro-3-(7- morpholi...)
Show SMILES CCc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H24FN5O2/c1-2-21-24(28-8-7-27-21)25(32)16-3-6-20(26)19(13-16)23-18-5-4-17(14-22(18)29-15-30-23)31-9-11-33-12-10-31/h3-8,13-15,25,32H,2,9-12H2,1H3
PDB

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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 US10172859 (2019)

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


(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
PDB

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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 US10172859 (2019)

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


(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
PDB

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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 US10172859 (2019)

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


(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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316053
PNG
(US10172859, Example 475 | [4-Fluoro-3-(7- morpholi...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1OC(F)(F)F
Show InChI InChI=1S/C25H20F4N4O3/c26-19-6-3-15(24(34)23-21(2-1-7-30-23)36-25(27,28)29)12-18(19)22-17-5-4-16(13-20(17)31-14-32-22)33-8-10-35-11-9-33/h1-7,12-14,24,34H,8-11H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM316056
PNG
((3-bromo-pyridin-2- yl)-[4-fluoro-3-(7- morpholin-...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Br
Show InChI InChI=1S/C24H20BrFN4O2/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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315789
PNG
(US10172859, Example 211 | US10172859, Example 212 ...)
Show SMILES OC(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C22H19FN4O2S/c23-18-4-1-14(21(28)22-24-5-10-30-22)11-17(18)20-16-3-2-15(12-19(16)25-13-26-20)27-6-8-29-9-7-27/h1-5,10-13,21,28H,6-9H2
PDB

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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 US10172859 (2019)

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


(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
PDB

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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315812
PNG
((R)-[4-Fluoro-3-(7- morpholin-4-yl- pyrido[3,2-d}-...)
Show SMILES Cc1nccnc1[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cnc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN6O2/c1-14-20(26-5-4-25-14)23(31)15-2-3-18(24)17(10-15)21-22-19(28-13-29-21)11-16(12-27-22)30-6-8-32-9-7-30/h2-5,10-13,23,31H,6-9H2,1H3/t23-/m1/s1
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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315813
PNG
(4-(4-Chloro-2-fluoro- 5-imidazo[1,2-b]- pyridazin-...)
Show SMILES Fc1cc(Cl)c(Cc2ccc3nccn3n2)cc1-c1ncnc2cc(ccc12)N1CCOCC1
Show InChI InChI=1S/C25H20ClFN6O/c26-21-14-22(27)20(12-16(21)11-17-1-4-24-28-5-6-33(24)31-17)25-19-3-2-18(13-23(19)29-15-30-25)32-7-9-34-10-8-32/h1-6,12-15H,7-11H2
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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315815
PNG
(US10172859, Example 237 | [4-Fluoro-3-(7-morpholin...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cnc12)N1CCOCC1
Show InChI InChI=1S/C23H21FN6O2/c1-14-20(26-5-4-25-14)23(31)15-2-3-18(24)17(10-15)21-22-19(28-13-29-21)11-16(12-27-22)30-6-8-32-9-7-30/h2-5,10-13,23,31H,6-9H2,1H3
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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315827
PNG
((R)-[4-Fluoro-3-(5- fluoro-7-morpholin-4- ylquinaz...)
Show SMILES Cc1nccnc1[C@H](O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O2/c1-14-22(28-5-4-27-14)24(32)15-2-3-18(25)17(10-15)23-21-19(26)11-16(12-20(21)29-13-30-23)31-6-8-33-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m1/s1
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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315831
PNG
(US10172859, Example 252 | US10172859, Example 253 ...)
Show SMILES COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)14-2-3-17(25)16(10-14)21-20-18(26)11-15(12-19(20)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315834
PNG
(US10172859, Example 255 | US10172859, Example 256 ...)
Show SMILES COc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-21-5-4-19(29-30-21)24(32)14-2-3-17(25)16(10-14)23-22-18(26)11-15(12-20(22)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3
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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315834
PNG
(US10172859, Example 255 | US10172859, Example 256 ...)
Show SMILES COc1ccc(nn1)C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-21-5-4-19(29-30-21)24(32)14-2-3-17(25)16(10-14)23-22-18(26)11-15(12-20(22)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3
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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315843
PNG
(US10172859, Example 264 | [2-Chloro-4-fluoro-5- (6...)
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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315831
PNG
(US10172859, Example 252 | US10172859, Example 253 ...)
Show SMILES COc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O3/c1-33-24-22(27-4-5-28-24)23(32)14-2-3-17(25)16(10-14)21-20-18(26)11-15(12-19(20)29-13-30-21)31-6-8-34-9-7-31/h2-5,10-13,23,32H,6-9H2,1H3
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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315848
PNG
(US10172859, Example 268 | [4-Fluoro-3-(5-fluoro-7-...)
Show SMILES Cc1nccnc1C(O)c1ccc(F)c(c1)-c1ncnc2cc(cc(F)c12)N1CCOCC1
Show InChI InChI=1S/C24H21F2N5O2/c1-14-22(28-5-4-27-14)24(32)15-2-3-18(25)17(10-15)23-21-19(26)11-16(12-20(21)29-13-30-23)31-6-8-33-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3
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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 US10172859 (2019)

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


(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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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 US10172859 (2019)

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


(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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US Patent
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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315862
PNG
(2-[2-Chloro-4-fluoro- 5-(7-morpholin-4-yl- quinazo...)
Show SMILES NC(=O)C(c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1)c1ncccc1Cl
Show InChI InChI=1S/C25H20Cl2FN5O2/c26-18-2-1-5-30-24(18)22(25(29)34)16-11-17(20(28)12-19(16)27)23-15-4-3-14(10-21(15)31-13-32-23)33-6-8-35-9-7-33/h1-5,10-13,22H,6-9H2,(H2,29,34)
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315904
PNG
(US10172859, Example 328 | [4-Fluoro-3-(7- morpholi...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nccc2ccoc12
Show InChI InChI=1S/C26H21FN4O3/c27-21-4-1-17(25(32)24-26-16(5-7-28-24)6-10-34-26)13-20(21)23-19-3-2-18(14-22(19)29-15-30-23)31-8-11-33-12-9-31/h1-7,10,13-15,25,32H,8-9,11-12H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315908
PNG
(US10172859, Example 332 | [4-Fluoro-3-(7- morpholi...)
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
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315909
PNG
(US10172859, Example 333 | [4-Fluoro-3-(7- morpholi...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2sccc12
Show InChI InChI=1S/C25H20FN5O2S/c26-20-4-1-15(25(32)24-18-5-10-34-22(18)13-29-30-24)11-19(20)23-17-3-2-16(12-21(17)27-14-28-23)31-6-8-33-9-7-31/h1-5,10-14,25,32H,6-9H2
PDB

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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 US10172859 (2019)

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


(Homo sapiens (Human))
BDBM315911
PNG
(US10172859, Example 335 | [4-Fluoro-3-(7- morpholi...)
Show SMILES OC(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nncc2ccoc12
Show InChI InChI=1S/C25H20FN5O3/c26-20-4-1-15(24(32)23-25-16(5-8-34-25)13-29-30-23)11-19(20)22-18-3-2-17(12-21(18)27-14-28-22)31-6-9-33-10-7-31/h1-5,8,11-14,24,32H,6-7,9-10H2
PDB

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
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 US10172859 (2019)

More data for this
Ligand-Target Pair
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