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Found 919 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(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


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155085
PNG
(US9000153, 38)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1ccnn1C
Show InChI InChI=1S/C23H17FN6O2/c1-28-20-12-26-17-10-21(32-3)15(18-6-7-27-29(18)2)9-14(17)22(20)30(23(28)31)19-5-4-13(11-25)8-16(19)24/h4-10,12H,1-3H3
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n/an/a 0.300n/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 US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155087
PNG
(US9000153, 40)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1-c1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C24H16F4N6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25/h4-9,11H,1-3H3
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n/an/a 0.300n/an/an/an/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 US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128794
PNG
(US8802712, 52)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCS(N)(=O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25FN6O5S/c1-36-23-16-34-22-14-24(40-2)25(13-21(22)26(23)27(35-36)18-5-3-17(15-31)4-6-18)41-28(19-7-9-20(30)10-8-19)29(37)33-11-12-42(32,38)39/h3-10,13-14,16,28H,11-12H2,1-2H3,(H,33,37)(H2,32,38,39)
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155089
PNG
(US9000153, 42)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1CCc1ccsc1
Show InChI InChI=1S/C25H19FN4O2S/c1-29-22-13-28-20-11-23(32-2)17(5-3-15-7-8-33-14-15)10-18(20)24(22)30(25(29)31)21-6-4-16(12-27)9-19(21)26/h4,6-11,13-14H,3,5H2,1-2H3
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n/an/a 0.300n/an/an/an/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 US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155090
PNG
(US9000153, 43)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1\C=C\c1ccccc1
Show InChI InChI=1S/C27H19FN4O2/c1-31-24-16-30-22-14-25(34-2)19(10-8-17-6-4-3-5-7-17)13-20(22)26(24)32(27(31)33)23-11-9-18(15-29)12-21(23)28/h3-14,16H,1-2H3/b10-8+
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n/an/a 0.300n/an/an/an/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 US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128799
PNG
(US8802712, 57)
Show SMILES CCn1nc(-c2ccc(cc2F)C#N)c2c1cnc1cc(OC)c(OC)cc21
Show InChI InChI=1S/C21H17FN4O2/c1-4-26-17-11-24-16-9-19(28-3)18(27-2)8-14(16)20(17)21(25-26)13-6-5-12(10-23)7-15(13)22/h5-9,11H,4H2,1-3H3
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128801
PNG
(US8802712, 59)
Show SMILES CCCn1nc(-c2ccc(cc2)C#N)c2c1cnc1cc(OC)c(OC)cc21
Show InChI InChI=1S/C22H20N4O2/c1-4-9-26-18-13-24-17-11-20(28-3)19(27-2)10-16(17)21(18)22(25-26)15-7-5-14(12-23)6-8-15/h5-8,10-11,13H,4,9H2,1-3H3
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128802
PNG
(US8802712, 60)
Show SMILES COc1cc2ncc3n(nc(-c4ccc(cc4)C#N)c3c2cc1OC)C(C)C
Show InChI InChI=1S/C22H20N4O2/c1-13(2)26-18-12-24-17-10-20(28-4)19(27-3)9-16(17)21(18)22(25-26)15-7-5-14(11-23)6-8-15/h5-10,12-13H,1-4H3
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128804
PNG
(US8802712, 62)
Show SMILES COc1cc2ncc3n(nc(-c4ccc(cc4)C#N)c3c2cc1OC)C1CC1
Show InChI InChI=1S/C22H18N4O2/c1-27-19-9-16-17(10-20(19)28-2)24-12-18-21(16)22(25-26(18)15-7-8-15)14-5-3-13(11-23)4-6-14/h3-6,9-10,12,15H,7-8H2,1-2H3
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128805
PNG
(US8802712, 63)
Show SMILES COc1cc2ncc3n(CC=C)nc(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C22H18N4O2/c1-4-9-26-18-13-24-17-11-20(28-3)19(27-2)10-16(17)21(18)22(25-26)15-7-5-14(12-23)6-8-15/h4-8,10-11,13H,1,9H2,2-3H3
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128807
PNG
(US8802712, 65)
Show SMILES COc1cc2ncc3n(nc(-c4ccc(cc4)C#N)c3c2cc1OC)C#N
Show InChI InChI=1S/C20H13N5O2/c1-26-17-7-14-15(8-18(17)27-2)23-10-16-19(14)20(24-25(16)11-22)13-5-3-12(9-21)4-6-13/h3-8,10H,1-2H3
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128809
PNG
(US8802712, 67)
Show SMILES COc1cc2ncc3n(CC(O)=O)nc(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C21H16N4O4/c1-28-17-7-14-15(8-18(17)29-2)23-10-16-20(14)21(24-25(16)11-19(26)27)13-5-3-12(9-22)4-6-13/h3-8,10H,11H2,1-2H3,(H,26,27)
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128810
PNG
(US8802712, 68)
Show SMILES COc1cc2ncc3n(CC(N)=O)nc(-c4ccc(cc4)C#N)c3c2cc1OC
Show InChI InChI=1S/C21H17N5O3/c1-28-17-7-14-15(8-18(17)29-2)24-10-16-20(14)21(25-26(16)11-19(23)27)13-5-3-12(9-22)4-6-13/h3-8,10H,11H2,1-2H3,(H2,23,27)
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128817
PNG
(US8802712, 75)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nn(C)c2cnc3cc(OC)c(OC)cc3c12
Show InChI InChI=1S/C25H29N5O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25/h6-9,14-16H,5,10-13H2,1-4H3
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155063
PNG
(US9000153, 16)
Show SMILES COCCNC(=O)C(Oc1cc2c3n(-c4ccc(cc4F)C#N)c(=O)n(C)c3cnc2cc1OC)c1ccc(F)cc1
Show InChI InChI=1/C30H25F2N5O5/c1-36-24-16-35-22-14-25(41-3)26(42-28(29(38)34-10-11-40-2)18-5-7-19(31)8-6-18)13-20(22)27(24)37(30(36)39)23-9-4-17(15-33)12-21(23)32/h4-9,12-14,16,28H,10-11H2,1-3H3,(H,34,38)
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Merck Patent GmbH

US Patent


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


US Patent US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155066
PNG
(US9000153, 19)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OCc1sccc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C28H24FN5O6S2/c1-32-22-15-31-20-13-23(38-2)24(40-16-25-26(5-10-41-25)42(36,37)33-6-8-39-9-7-33)12-18(20)27(22)34(28(32)35)21-4-3-17(14-30)11-19(21)29/h3-5,10-13,15H,6-9,16H2,1-2H3
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US Patent


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


US Patent US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155078
PNG
(US9000153, 31)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(CN)c1cccs1
Show InChI InChI=1/C25H20FN5O3S/c1-30-19-13-29-17-10-20(33-2)21(34-22(12-28)23-4-3-7-35-23)9-15(17)24(19)31(25(30)32)18-6-5-14(11-27)8-16(18)26/h3-10,13,22H,12,28H2,1-2H3
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US Patent


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


US Patent US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(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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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)

More data for this
Ligand-Target Pair
DNA-PK


(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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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)

More data for this
Ligand-Target Pair
DNA-PK


(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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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)

More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128780
PNG
(US8802712, 38)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1ccnc(c1)C#N
Show InChI InChI=1S/C26H18N6O2/c1-32-22-14-30-21-11-23(33-2)24(34-15-17-7-8-29-19(9-17)13-28)10-20(21)25(22)26(31-32)18-5-3-16(12-27)4-6-18/h3-11,14H,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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128783
PNG
(US8802712, 41)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccc(c1)N(C)C
Show InChI InChI=1S/C28H25N5O2/c1-32(2)21-7-5-6-19(12-21)17-35-26-13-22-23(14-25(26)34-4)30-16-24-27(22)28(31-33(24)3)20-10-8-18(15-29)9-11-20/h5-14,16H,17H2,1-4H3
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128787
PNG
(US8802712, 45)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C30H23N5O2S/c1-18-33-25(17-38-18)22-6-4-5-20(11-22)16-37-28-12-23-24(13-27(28)36-3)32-15-26-29(23)30(34-35(26)2)21-9-7-19(14-31)8-10-21/h4-13,15,17H,16H2,1-3H3
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128790
PNG
(US8802712, 48)
Show SMILES CCN1CCN(CCNC(=O)C(Oc2cc3c4c(nn(C)c4cnc3cc2OC)-c2ccc(cc2)C#N)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C35H36FN7O3/c1-4-42-15-17-43(18-16-42)14-13-38-35(44)34(25-9-11-26(36)12-10-25)46-31-19-27-28(20-30(31)45-3)39-22-29-32(27)33(40-41(29)2)24-7-5-23(21-37)6-8-24/h5-12,19-20,22,34H,4,13-18H2,1-3H3,(H,38,44)
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128791
PNG
(US8802712, 49)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCN(C)C)c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN6O3/c1-37(2)14-13-34-31(39)30(21-9-11-22(32)12-10-21)41-27-15-23-24(16-26(27)40-4)35-18-25-28(23)29(36-38(25)3)20-7-5-19(17-33)6-8-20/h5-12,15-16,18,30H,13-14H2,1-4H3,(H,34,39)
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM128793
PNG
(US8802712, 51)
Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NOCC#N)c1ccc(F)cc1
Show InChI InChI=1S/C29H21FN6O4/c1-36-23-16-33-22-14-24(38-2)25(13-21(22)26(23)27(34-36)18-5-3-17(15-32)4-6-18)40-28(29(37)35-39-12-11-31)19-7-9-20(30)10-8-19/h3-10,13-14,16,28H,12H2,1-2H3,(H,35,37)
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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)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 0.5n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM155079
PNG
(US9000153, 32)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc(cc4F)C#N)c3c2cc1OC(CN)c1ccc(F)cc1
Show InChI InChI=1/C27H21F2N5O3/c1-33-22-14-32-20-11-23(36-2)24(37-25(13-31)16-4-6-17(28)7-5-16)10-18(20)26(22)34(27(33)35)21-8-3-15(12-30)9-19(21)29/h3-11,14,25H,13,31H2,1-2H3
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n/an/a 0.75n/an/an/an/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 US9000153 (2015)

More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 2n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK by non-radiometric ADP-Glo assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50439892
PNG
(CHEMBL2420289)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCNc2cccnc2)c2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C32H27N3O4S/c36-26-19-29(35-14-17-37-18-15-35)39-31-22(7-3-8-24(26)31)23-10-11-27(38-16-13-34-21-5-4-12-33-20-21)30-25-6-1-2-9-28(25)40-32(23)30/h1-12,19-20,34H,13-18H2
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n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50439893
PNG
(CHEMBL2420254)
Show SMILES COC(=O)[C@H](CO)NCCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C31H30N2O7S/c1-37-31(36)23(18-34)32-11-14-39-25-10-9-20(30-28(25)22-5-2-3-8-26(22)41-30)19-6-4-7-21-24(35)17-27(40-29(19)21)33-12-15-38-16-13-33/h2-10,17,23,32,34H,11-16,18H2,1H3/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(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/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50357645
PNG
(CHEMBL1738719)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
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n/an/a 2.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using fluorescein-p53 peptide as substrate after 1 hr by TR-FRET enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50439880
PNG
(CHEMBL2420253)
Show SMILES CC(C)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C34H37N3O4S/c1-23(2)36-14-12-35(13-15-36)16-21-40-29-11-10-25(34-32(29)27-6-3-4-9-30(27)42-34)24-7-5-8-26-28(38)22-31(41-33(24)26)37-17-19-39-20-18-37/h3-11,22-23H,12-21H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK after 30 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
DNA-PK


(Homo sapiens (Human))
BDBM50439957
PNG
(CHEMBL2420255)
Show SMILES CN(CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)CC(N)=O
Show InChI InChI=1S/C30H29N3O5S/c1-32(18-26(31)35)11-16-37-24-10-9-20(30-28(24)22-5-2-3-8-25(22)39-30)19-6-4-7-21-23(34)17-27(38-29(19)21)33-12-14-36-15-13-33/h2-10,17H,11-16,18H2,1H3,(H2,31,35)
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n/an/a 3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


Citation and Details
More data for this
Ligand-Target Pair
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