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Compile Data Set for Download or QSAR

Found 1047 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase'   
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


(Homo sapiens (Human))
BDBM50439947
PNG
(CHEMBL2420310)
Show SMILES OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O5S/c38-17-14-35-10-12-36(13-11-35)21-29(40)34-26-9-8-23(33-31(26)25-4-1-2-7-28(25)43-33)22-5-3-6-24-27(39)20-30(42-32(22)24)37-15-18-41-19-16-37/h1-9,20,38H,10-19,21H2,(H,34,40)
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n/an/an/an/a 109n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/an/an/a 136n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439946
PNG
(CHEMBL2420287)
Show SMILES CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H33N3O5S/c1-22(37)35-13-11-34(12-14-35)15-20-40-28-10-9-24(33-31(28)26-5-2-3-8-29(26)42-33)23-6-4-7-25-27(38)21-30(41-32(23)25)36-16-18-39-19-17-36/h2-10,21H,11-20H2,1H3
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n/an/an/an/a 166n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50156495
PNG
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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n/an/an/an/a 212n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50439948
PNG
(CHEMBL2420425)
Show SMILES CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C32H32N4O4S/c1-34-11-13-35(14-12-34)20-28(38)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(37)19-29(40-31(21)23)36-15-17-39-18-16-36/h2-10,19H,11-18,20H2,1H3,(H,33,38)
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n/an/an/an/a 426n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50156495
PNG
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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0.650n/an/an/an/an/an/an/an/a



School of Natural Sciences--Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase receptor


J Med Chem 48: 7829-46 (2005)


Article DOI: 10.1021/jm050444b
BindingDB Entry DOI: 10.7270/Q2Z31Z60
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50341751
PNG
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)
Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)
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6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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120n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK isolated from human HeLa cell extract


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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120n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Binding affinity for DNA dependent protein kinase isolated from HeLa cells; Range is 20-120


J Med Chem 48: 569-85 (2005)


Article DOI: 10.1021/jm049526a
BindingDB Entry DOI: 10.7270/Q2BK1BV9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50093352
PNG
(CHEMBL3586678)
Show SMILES COc1cncc(n1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
Show InChI InChI=1S/C19H22F2N8O2S/c1-31-17-7-22-6-16(26-17)29-5-3-13-14(9-29)32-19(25-13)27-18(30)23-4-2-12-8-28(11-24-12)10-15(20)21/h6-8,11,15H,2-5,9-10H2,1H3,(H2,23,25,27,30)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using ATP and PPLSQEAFADLWKKK substrate by radiometric peptide assay


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50093351
PNG
(CHEMBL3585362)
Show SMILES COc1cc(cnc1Cl)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
Show InChI InChI=1S/C20H22ClF2N7O2S/c1-32-15-6-13(7-25-18(15)21)30-5-3-14-16(9-30)33-20(27-14)28-19(31)24-4-2-12-8-29(11-26-12)10-17(22)23/h6-8,11,17H,2-5,9-10H2,1H3,(H2,24,27,28,31)
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using ATP and PPLSQEAFADLWKKK substrate by radiometric peptide assay


J Med Chem 58: 5684-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00498
BindingDB Entry DOI: 10.7270/Q2Z89F53
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Competitive inhibition of DNA-PK (unknown origin) in the presence of ATP


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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6.00E+3n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Affinity for DNA-dependent protein kinase(DNA-PK) from HeLa cell extract


Bioorg Med Chem Lett 13: 3083-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00652-8
BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM6069
PNG
(US8802712, 88)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)-c4ccn[nH]4)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C24H19N7O/c1-31-21-13-25-20-10-22(32-2)17(16-11-27-28-12-16)9-18(20)23(21)24(30-31)15-5-3-14(4-6-15)19-7-8-26-29-19/h3-13H,1-2H3,(H,26,29)(H,27,28)
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n/an/a<100n/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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM36410
PNG
(1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-...)
Show SMILES Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
Show InChI InChI=1S/C17H17N7/c18-16-14-15(11-5-7-23-8-6-19-13(23)9-11)22-24(12-3-1-2-4-12)17(14)21-10-20-16/h5-10,12H,1-4H2,(H2,18,20,21)
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n/an/a 53n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128743
PNG
(US8802712, 1)
Show SMILES COc1cc2ncc3[nH]nc(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C19H14N4O2/c1-24-16-7-13-14(8-17(16)25-2)21-10-15-18(13)19(23-22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,23)
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n/an/a<100n/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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128744
PNG
(US8802712, 2)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C20H16N4O2/c1-24-16-11-22-15-9-18(26-3)17(25-2)8-14(15)19(16)20(23-24)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/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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128745
PNG
(US8802712, 3)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(C#N)c(Br)c4)c3c2cc1OC
Show InChI InChI=1S/C20H15BrN4O2/c1-25-16-10-23-15-8-18(27-3)17(26-2)7-13(15)19(16)20(24-25)11-4-5-12(9-22)14(21)6-11/h4-8,10H,1-3H3
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n/an/a<100n/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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128746
PNG
(US8802712, 4)
Show SMILES COc1cc2c3c(nn(C)c3cnc2cc1O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H14N4O2/c1-23-15-10-21-14-8-16(24)17(25-2)7-13(14)18(15)19(22-23)12-5-3-11(9-20)4-6-12/h3-8,10,24H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128747
PNG
(US8802712, 5)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1O
Show InChI InChI=1S/C19H14N4O2/c1-23-15-10-21-14-8-17(25-2)16(24)7-13(14)18(15)19(22-23)12-5-3-11(9-20)4-6-12/h3-8,10,24H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128748
PNG
(US8802712, 6)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4F)C#N)c3c2cc1O
Show InChI InChI=1S/C19H13FN4O2/c1-24-15-9-22-14-7-17(26-2)16(25)6-12(14)18(15)19(23-24)11-4-3-10(8-21)5-13(11)20/h3-7,9,25H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128749
PNG
(US8802712, 7)
Show SMILES COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(Cl)c4)c3c2cc1OC
Show InChI InChI=1S/C19H13ClN4O2/c1-25-16-6-12-14(7-17(16)26-2)22-9-15-18(12)19(24-23-15)10-3-4-11(8-21)13(20)5-10/h3-7,9H,1-2H3,(H,23,24)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128750
PNG
(US8802712, 8)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(N)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN5O3/c1-33-21-14-31-20-12-22(35-2)23(36-26(27(30)34)17-7-9-18(28)10-8-17)11-19(20)24(21)25(32-33)16-5-3-15(13-29)4-6-16/h3-12,14,26H,1-2H3,(H2,30,34)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128751
PNG
(US8802712, 9)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1O[C@@H](C(N)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN5O3/c1-33-21-14-31-20-12-22(35-2)23(36-26(27(30)34)17-7-9-18(28)10-8-17)11-19(20)24(21)25(32-33)16-5-3-15(13-29)4-6-16/h3-12,14,26H,1-2H3,(H2,30,34)/t26-/m1/s1
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128752
PNG
(US8802712, 10)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1O[C@H](C(N)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H20FN5O3/c1-33-21-14-31-20-12-22(35-2)23(36-26(27(30)34)17-7-9-18(28)10-8-17)11-19(20)24(21)25(32-33)16-5-3-15(13-29)4-6-16/h3-12,14,26H,1-2H3,(H2,30,34)/t26-/m0/s1
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128753
PNG
(US8802712, 11)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccncc1
Show InChI InChI=1S/C25H19N5O2/c1-30-21-14-28-20-12-22(31-2)23(32-15-17-7-9-27-10-8-17)11-19(20)24(21)25(29-30)18-5-3-16(13-26)4-6-18/h3-12,14H,15H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128754
PNG
(US8802712, 12)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccnc1
Show InChI InChI=1S/C25H19N5O2/c1-30-21-14-28-20-11-22(31-2)23(32-15-17-4-3-9-27-13-17)10-19(20)24(21)25(29-30)18-7-5-16(12-26)6-8-18/h3-11,13-14H,15H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128755
PNG
(US8802712, 13)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccccn1
Show InChI InChI=1S/C25H19N5O2/c1-30-21-14-28-20-12-22(31-2)23(32-15-18-5-3-4-10-27-18)11-19(20)24(21)25(29-30)17-8-6-16(13-26)7-9-17/h3-12,14H,15H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128756
PNG
(US8802712, 14)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccccc1C#N
Show InChI InChI=1S/C27H19N5O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-20-6-4-3-5-19(20)14-29)11-21(22)26(23)27(31-32)18-9-7-17(13-28)8-10-18/h3-12,15H,16H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128757
PNG
(US8802712, 15)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C26H19FN4O2/c1-31-22-14-29-21-12-23(32-2)24(33-15-17-5-9-19(27)10-6-17)11-20(21)25(22)26(30-31)18-7-3-16(13-28)4-8-18/h3-12,14H,15H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128758
PNG
(US8802712, 16)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(F)F
Show InChI InChI=1S/C20H14F2N4O2/c1-26-15-10-24-14-8-16(27-2)17(28-20(21)22)7-13(14)18(15)19(25-26)12-5-3-11(9-23)4-6-12/h3-8,10,20H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128759
PNG
(US8802712, 17)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(F)(F)c1ccccc1
Show InChI InChI=1S/C26H18F2N4O2/c1-32-21-15-30-20-13-22(33-2)23(34-26(27,28)18-6-4-3-5-7-18)12-19(20)24(21)25(31-32)17-10-8-16(14-29)9-11-17/h3-13,15H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128760
PNG
(US8802712, 18)
Show SMILES COC(=O)C(Oc1cc2c3c(nn(C)c3cnc2cc1OC)-c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN4O4/c1-33-22-15-31-21-13-23(35-2)24(37-27(28(34)36-3)18-8-10-19(29)11-9-18)12-20(21)25(22)26(32-33)17-6-4-16(14-30)5-7-17/h4-13,15,27H,1-3H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128761
PNG
(US8802712, 19)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H19FN4O4/c1-32-21-14-30-20-12-22(35-2)23(36-26(27(33)34)17-7-9-18(28)10-8-17)11-19(20)24(21)25(31-32)16-5-3-15(13-29)4-6-16/h3-12,14,26H,1-2H3,(H,33,34)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128762
PNG
(US8802712, 20)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C27H20N4O4/c1-31-21-15-29-20-13-22(34-2)23(35-26(27(32)33)18-6-4-3-5-7-18)12-19(20)24(21)25(30-31)17-10-8-16(14-28)9-11-17/h3-13,15,26H,1-2H3,(H,32,33)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128763
PNG
(US8802712, 21)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(O)=O)c1cccs1
Show InChI InChI=1S/C25H18N4O4S/c1-29-18-13-27-17-11-19(32-2)20(33-24(25(30)31)21-4-3-9-34-21)10-16(17)22(18)23(28-29)15-7-5-14(12-26)6-8-15/h3-11,13,24H,1-2H3,(H,30,31)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128764
PNG
(US8802712, 22)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C)(C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H22N4O4/c1-28(27(33)34,19-7-5-4-6-8-19)36-24-13-20-21(14-23(24)35-3)30-16-22-25(20)26(31-32(22)2)18-11-9-17(15-29)10-12-18/h4-14,16H,1-3H3,(H,33,34)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128765
PNG
(US8802712, 23)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4F)C#N)c3c2cc1OC(C(N)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H19F2N5O3/c1-34-21-13-32-20-11-22(36-2)23(37-26(27(31)35)15-4-6-16(28)7-5-15)10-18(20)24(21)25(33-34)17-8-3-14(12-30)9-19(17)29/h3-11,13,26H,1-2H3,(H2,31,35)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128766
PNG
(US8802712, 24)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H20N4O4S/c1-16-4-10-19(11-5-16)35(31,32)34-24-12-20-21(13-23(24)33-3)28-15-22-25(20)26(29-30(22)2)18-8-6-17(14-27)7-9-18/h4-13,15H,1-3H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128767
PNG
(US8802712, 25)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OP(O)(=O)c1ccccc1
Show InChI InChI=1S/C25H19N4O4P/c1-29-21-15-27-20-13-22(32-2)23(33-34(30,31)18-6-4-3-5-7-18)12-19(20)24(21)25(28-29)17-10-8-16(14-26)9-11-17/h3-13,15H,1-2H3,(H,30,31)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128768
PNG
(US8802712, 26)
Show SMILES COc1cc2c3c(nn(C)c3cnc2cc1OC(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H14F2N4O2/c1-26-15-10-24-14-8-17(28-20(21)22)16(27-2)7-13(14)18(15)19(25-26)12-5-3-11(9-23)4-6-12/h3-8,10,20H,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128769
PNG
(US8802712, 27)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccc(CO)cc1
Show InChI InChI=1S/C27H22N4O3/c1-31-23-14-29-22-12-24(33-2)25(34-16-19-5-3-18(15-32)4-6-19)11-21(22)26(23)27(30-31)20-9-7-17(13-28)8-10-20/h3-12,14,32H,15-16H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128770
PNG
(US8802712, 28)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C31H29N5O3/c1-35-27-18-33-26-16-28(37-2)29(15-25(26)30(27)31(34-35)24-8-6-21(17-32)7-9-24)39-20-23-5-3-4-22(14-23)19-36-10-12-38-13-11-36/h3-9,14-16,18H,10-13,19-20H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128771
PNG
(US8802712, 29)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C28H21N7O2/c1-34-23-16-30-22-13-24(36-2)25(37-17-19-6-9-26(31-15-19)35-11-3-10-32-35)12-21(22)27(23)28(33-34)20-7-4-18(14-29)5-8-20/h3-13,15-16H,17H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128772
PNG
(US8802712, 30)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cnc2[nH]ccc2c1
Show InChI InChI=1S/C27H20N6O2/c1-33-22-14-30-21-11-23(34-2)24(35-15-17-9-19-7-8-29-27(19)31-13-17)10-20(21)25(22)26(32-33)18-5-3-16(12-28)4-6-18/h3-11,13-14H,15H2,1-2H3,(H,29,31)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128773
PNG
(US8802712, 31)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C28H21N7O2/c1-34-24-14-31-23-12-25(36-2)26(37-15-19-5-9-21(10-6-19)35-17-30-16-32-35)11-22(23)27(24)28(33-34)20-7-3-18(13-29)4-8-20/h3-12,14,16-17H,15H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128774
PNG
(US8802712, 32)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccc(CN)c1
Show InChI InChI=1S/C27H23N5O2/c1-32-23-15-30-22-12-24(33-2)25(34-16-19-5-3-4-18(10-19)14-29)11-21(22)26(23)27(31-32)20-8-6-17(13-28)7-9-20/h3-12,15H,14,16,29H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128775
PNG
(US8802712, 33)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccnc(N)c1
Show InChI InChI=1S/C25H20N6O2/c1-31-20-13-29-19-11-21(32-2)22(33-14-16-7-8-28-23(27)9-16)10-18(19)24(20)25(30-31)17-5-3-15(12-26)4-6-17/h3-11,13H,14H2,1-2H3,(H2,27,28)
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM128776
PNG
(US8802712, 34)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccs1
Show InChI InChI=1S/C24H18N4O2S/c1-28-20-13-26-19-11-21(29-2)22(30-14-17-4-3-9-31-17)10-18(19)23(20)24(27-28)16-7-5-15(12-25)6-8-16/h3-11,13H,14H2,1-2H3
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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 the DNA-PK/protein complex and ...


US Patent US8802712 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49ZC
More data for this
Ligand-Target Pair
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