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Patent code US9187469

Compile Data Set for Download or QSAR
Found 20 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))		BDBM192477
PNG
(US9187469, 1 | US9187469, 3)
Show SMILES O[C@H](C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1)c1nccs1 |r|
Show InChI InChI=1S/C20H24N6O2S/c27-18(20-21-5-11-29-20)14-2-1-6-26(13-14)19-16-4-3-15(12-17(16)22-24-23-19)25-7-9-28-10-8-25/h3-5,11-12,14,18,27H,1-2,6-10,13H2/t14?,18-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192491
PNG
(US9187469, 15)
Show SMILES COc1ccc(nn1)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C22H27N7O3/c1-31-20-7-6-18(23-25-20)21(30)15-3-2-8-29(14-15)22-17-5-4-16(13-19(17)24-27-26-22)28-9-11-32-12-10-28/h4-7,13,15,21,30H,2-3,8-12,14H2,1H3/t15?,21-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192496
PNG
(US9187469, 20)
Show SMILES CCn1cc(cn1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C22H29N7O2/c1-2-29-15-17(13-23-29)21(30)16-4-3-7-28(14-16)22-19-6-5-18(12-20(19)24-26-25-22)27-8-10-31-11-9-27/h5-6,12-13,15-16,21,30H,2-4,7-11,14H2,1H3/t16?,21-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192485
PNG
(US9187469, 9)
Show SMILES C[C@](O)(C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1)c1nccs1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-21(28,20-22-6-12-30-20)15-3-2-7-27(14-15)19-17-5-4-16(13-18(17)23-25-24-19)26-8-10-29-11-9-26/h4-6,12-13,15,28H,2-3,7-11,14H2,1H3/t15?,21-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192484
PNG
(US9187469, 8)
Show SMILES C[C@@](O)(C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1)c1nccs1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-21(28,20-22-6-12-30-20)15-3-2-7-27(14-15)19-17-5-4-16(13-18(17)23-25-24-19)26-8-10-29-11-9-26/h4-6,12-13,15,28H,2-3,7-11,14H2,1H3/t15?,21-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192489
PNG
(US9187469, 13)
Show SMILES Cc1cnc(s1)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-12-22-21(30-14)19(28)15-3-2-6-27(13-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11-12,15,19,28H,2-3,6-10,13H2,1H3/t15?,19-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192481
PNG
(US9187469, 5 | US9187469, 7)
Show SMILES Cc1csc(n1)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15?,19-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192480
PNG
(US9187469, 4 | US9187469, 6)
Show SMILES Cc1csc(n1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15?,19-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192486
PNG
(US9187469, 10)
Show SMILES Cc1nc(sc1C)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C22H28N6O2S/c1-14-15(2)31-22(23-14)20(29)16-4-3-7-28(13-16)21-18-6-5-17(12-19(18)24-26-25-21)27-8-10-30-11-9-27/h5-6,12,16,20,29H,3-4,7-11,13H2,1-2H3/t16?,20-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192495
PNG
(US9187469, 19)
Show SMILES CC(C)(C)n1cc(cn1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C24H33N7O2/c1-24(2,3)31-16-18(14-25-31)22(32)17-5-4-8-30(15-17)23-20-7-6-19(13-21(20)26-28-27-23)29-9-11-33-12-10-29/h6-7,13-14,16-17,22,32H,4-5,8-12,15H2,1-3H3/t17?,22-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192477
PNG
(US9187469, 1 | US9187469, 3)
Show SMILES O[C@H](C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1)c1nccs1 |r|
Show InChI InChI=1S/C20H24N6O2S/c27-18(20-21-5-11-29-20)14-2-1-6-26(13-14)19-16-4-3-15(12-17(16)22-24-23-19)25-7-9-28-10-8-25/h3-5,11-12,14,18,27H,1-2,6-10,13H2/t14?,18-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192492
PNG
(US9187469, 16)
Show SMILES COc1ccc(cn1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C23H28N6O3/c1-31-21-7-4-16(14-24-21)22(30)17-3-2-8-29(15-17)23-19-6-5-18(13-20(19)25-27-26-23)28-9-11-32-12-10-28/h4-7,13-14,17,22,30H,2-3,8-12,15H2,1H3/t17?,22-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192493
PNG
(US9187469, 17)
Show SMILES COc1ccc(cn1)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C23H28N6O3/c1-31-21-7-4-16(14-24-21)22(30)17-3-2-8-29(15-17)23-19-6-5-18(13-20(19)25-27-26-23)28-9-11-32-12-10-28/h4-7,13-14,17,22,30H,2-3,8-12,15H2,1H3/t17?,22-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192490
PNG
(US9187469, 14)
Show SMILES COc1ccc(nn1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C22H27N7O3/c1-31-20-7-6-18(23-25-20)21(30)15-3-2-8-29(14-15)22-17-5-4-16(13-19(17)24-27-26-22)28-9-11-32-12-10-28/h4-7,13,15,21,30H,2-3,8-12,14H2,1H3/t15?,21-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192478
PNG
(US9187469, 2)
Show SMILES O[C@@H](C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1)c1nccs1 |r|
Show InChI InChI=1S/C20H24N6O2S/c27-18(20-21-5-11-29-20)14-2-1-6-26(13-14)19-16-4-3-15(12-17(16)22-24-23-19)25-7-9-28-10-8-25/h3-5,11-12,14,18,27H,1-2,6-10,13H2/t14?,18-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192480
PNG
(US9187469, 4 | US9187469, 6)
Show SMILES Cc1csc(n1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15?,19-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192481
PNG
(US9187469, 5 | US9187469, 7)
Show SMILES Cc1csc(n1)[C@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15?,19-/m1/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192487
PNG
(US9187469, 11)
Show SMILES Cc1nc(sc1C)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C22H28N6O2S/c1-14-15(2)31-22(23-14)20(29)16-4-3-7-28(13-16)21-18-6-5-17(12-19(18)24-26-25-21)27-8-10-30-11-9-27/h5-6,12,16,20,29H,3-4,7-11,13H2,1-2H3/t16?,20-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192488
PNG
(US9187469, 12)
Show SMILES Cc1cnc(s1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C21H26N6O2S/c1-14-12-22-21(30-14)19(28)15-3-2-6-27(13-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-5,11-12,15,19,28H,2-3,6-10,13H2,1H3/t15?,19-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM192494
PNG
(US9187469, 18)
Show SMILES CC(C)n1cc(cn1)[C@@H](O)C1CCCN(C1)c1nnnc2cc(ccc12)N1CCOCC1 |r|
Show InChI InChI=1S/C23H31N7O2/c1-16(2)30-15-18(13-24-30)22(31)17-4-3-7-29(14-17)23-20-6-5-19(12-21(20)25-27-26-23)28-8-10-32-11-9-28/h5-6,12-13,15-17,22,31H,3-4,7-11,14H2,1-2H3/t17?,22-/m0/s1
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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 US9187469 (2015)


BindingDB Entry DOI: 10.7270/Q2S1819K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%