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Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'leahy' and Initial = 'jj'   
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))
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
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
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
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
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
Inhibition of human recombinant p110 alpha Phosphatidylinositol 3-kinase


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
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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



The University

Curated by ChEMBL


Assay Description
Binding affinity for Phosphatidylinositol-3-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 catalytic subunit


(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/a 10n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK)


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(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/a 20n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50178029
PNG
(2-morpholin-4-yl-8-(6,7,8,9-tetrahydro-dibenzothio...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3CCCCc3sc12)N1CCOCC1
Show InChI InChI=1S/C25H23NO3S/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/h3-4,6-9,15H,1-2,5,10-14H2
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n/an/a 23n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156503
PNG
(8-Dibenzofuran-4-yl-2-morpholin-4-yl-chromen-4-one...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C25H19NO4/c27-21-15-23(26-11-13-28-14-12-26)30-25-19(8-4-9-20(21)25)18-7-3-6-17-16-5-1-2-10-22(16)29-24(17)18/h1-10,15H,11-14H2
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n/an/a 40n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156503
PNG
(8-Dibenzofuran-4-yl-2-morpholin-4-yl-chromen-4-one...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C25H19NO4/c27-21-15-23(26-11-13-28-14-12-26)30-25-19(8-4-9-20(21)25)18-7-3-6-17-16-5-1-2-10-22(16)29-24(17)18/h1-10,15H,11-14H2
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n/an/a 40n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156498
PNG
(2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one ...)
Show SMILES CC1CN(CCO1)c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
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n/an/a 190n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156498
PNG
(2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one ...)
Show SMILES CC1CN(CCO1)c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
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n/an/a 190n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50098126
PNG
(2-(morpholin-4-yl)-benzo[h]chromen-4-one | 2-Morph...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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n/an/a 230n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK)


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50098126
PNG
(2-(morpholin-4-yl)-benzo[h]chromen-4-one | 2-Morph...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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n/an/a 230n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50098126
PNG
(2-(morpholin-4-yl)-benzo[h]chromen-4-one | 2-Morph...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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n/an/a 230n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50178120
PNG
(2-morpholinobenzo[h]quinolin-4(1H)-one | CHEMBL198...)
Show SMILES [OH+]=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
Show InChI InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2/p+1
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n/an/a 250n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50159677
PNG
(2-Morpholin-4-yl-benzo[h]chromene-4-thione | CHEMB...)
Show SMILES S=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO2S/c21-15-11-16(18-7-9-19-10-8-18)20-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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n/an/a 260n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50159620
PNG
(2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one ...)
Show SMILES O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
Show InChI InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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n/an/a 280n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50156502
PNG
(2-Morpholin-4-yl-8-thiophen-3-yl-chromen-4-one | 2...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-15-10-16(18-5-7-20-8-6-18)21-17-13(2-1-3-14(15)17)12-4-9-22-11-12/h1-4,9-11H,5-8H2
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n/an/a 300n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156502
PNG
(2-Morpholin-4-yl-8-thiophen-3-yl-chromen-4-one | 2...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-15-10-16(18-5-7-20-8-6-18)21-17-13(2-1-3-14(15)17)12-4-9-22-11-12/h1-4,9-11H,5-8H2
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n/an/a 300n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178038
PNG
(CHEMBL198482 | N-[3-(2-(morpholin-4-yl)-4-oxo-4H-c...)
Show SMILES O=C1N(CCCOc2ccc3c(c2)oc(cc3=O)N2CCOCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H22N2O6/c27-20-15-22(25-9-12-30-13-10-25)32-21-14-16(6-7-19(20)21)31-11-3-8-26-23(28)17-4-1-2-5-18(17)24(26)29/h1-2,4-7,14-15H,3,8-13H2
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n/an/a 350n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50159621
PNG
(2-Morpholin-4-yl-7,8,9,10-tetrahydro-benzo[h]chrom...)
Show SMILES O=c1cc(oc2c3CCCCc3ccc12)N1CCOCC1
Show InChI InChI=1S/C17H19NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h5-6,11H,1-4,7-10H2
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n/an/a 360n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50178028
PNG
(7-(benzyloxy)-2-morpholino-4H-chromen-4-one | 7-Be...)
Show SMILES O=c1cc(oc2cc(OCc3ccccc3)ccc12)N1CCOCC1
Show InChI InChI=1S/C20H19NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
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n/an/a 380n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50159668
PNG
(2-Morpholin-4-yl-benzo[g]chromen-4-one | 2-morphol...)
Show SMILES O=c1cc(oc2cc3ccccc3cc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
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n/an/a 390n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50159668
PNG
(2-Morpholin-4-yl-benzo[g]chromen-4-one | 2-morphol...)
Show SMILES O=c1cc(oc2cc3ccccc3cc12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
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n/an/a 400n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178033
PNG
(7-(4-fluorobenzyloxy)-2-morpholin-4-yl-chromen-4-o...)
Show SMILES Fc1ccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H18FNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
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n/an/a 440n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178080
PNG
(7-(naphthalen-2-ylmethoxy)-2-(morpholin-4-yl)-chro...)
Show SMILES O=c1cc(oc2cc(OCc3ccc4ccccc4c3)ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21NO4/c26-22-15-24(25-9-11-27-12-10-25)29-23-14-20(7-8-21(22)23)28-16-17-5-6-18-3-1-2-4-19(18)13-17/h1-8,13-15H,9-12,16H2
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n/an/a 440n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178123
PNG
(7-hydroxy-2-(morpholin-4-yl)chromen-4-one | CHEMBL...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C13H13NO4/c15-9-1-2-10-11(16)8-13(18-12(10)7-9)14-3-5-17-6-4-14/h1-2,7-8,15H,3-6H2
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n/an/a 450n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178111
PNG
(2-(2-(benzenesulfonyl)ethoxy)-2-morpholin-4-yl-chr...)
Show SMILES O=c1cc(oc2cc(OCCS(=O)(=O)c3ccccc3)ccc12)N1CCOCC1
Show InChI InChI=1S/C21H21NO6S/c23-19-15-21(22-8-10-26-11-9-22)28-20-14-16(6-7-18(19)20)27-12-13-29(24,25)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2
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n/an/a 470n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178126
PNG
(7-(3-chlorobenzyloxy)-2-morpholin-4-yl-chromen-4-o...)
Show SMILES Clc1cccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C20H18ClNO4/c21-15-3-1-2-14(10-15)13-25-16-4-5-17-18(23)12-20(26-19(17)11-16)22-6-8-24-9-7-22/h1-5,10-12H,6-9,13H2
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n/an/a 490n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178118
PNG
(7-(4-chlorobenzyloxy)-2-(morpholin-4-yl)-chromen-4...)
Show SMILES Clc1ccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H18ClNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
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n/an/a 500n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156500
PNG
(8-(4-Hydroxymethyl-phenyl)-2-morpholin-4-yl-chrome...)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO4/c22-13-14-4-6-15(7-5-14)16-2-1-3-17-18(23)12-19(25-20(16)17)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
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n/an/a 600n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156500
PNG
(8-(4-Hydroxymethyl-phenyl)-2-morpholin-4-yl-chrome...)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO4/c22-13-14-4-6-15(7-5-14)16-2-1-3-17-18(23)12-19(25-20(16)17)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
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n/an/a 600n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178067
PNG
(7-(4-cyanobenzyloxy)-2-morpholin-4-yl-chromen-4-on...)
Show SMILES O=c1cc(oc2cc(OCc3ccc(cc3)C#N)ccc12)N1CCOCC1
Show InChI InChI=1S/C21H18N2O4/c22-13-15-1-3-16(4-2-15)14-26-17-5-6-18-19(24)12-21(27-20(18)11-17)23-7-9-25-10-8-23/h1-6,11-12H,7-10,14H2
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n/an/a 690n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156496
PNG
(2-Morpholin-4-yl-8-thiophen-2-yl-chromen-4-one | 2...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-11-16(18-6-8-20-9-7-18)21-17-12(14)3-1-4-13(17)15-5-2-10-22-15/h1-5,10-11H,6-9H2
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n/an/a 700n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156496
PNG
(2-Morpholin-4-yl-8-thiophen-2-yl-chromen-4-one | 2...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-11-16(18-6-8-20-9-7-18)21-17-12(14)3-1-4-13(17)15-5-2-10-22-15/h1-5,10-11H,6-9H2
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n/an/a 700n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178034
PNG
(7-(4-methylsulfanylbenzyloxy)-2-(morpholin-4-yl)-c...)
Show SMILES CSc1ccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)cc1
Show InChI InChI=1S/C21H21NO4S/c1-27-17-5-2-15(3-6-17)14-25-16-4-7-18-19(23)13-21(26-20(18)12-16)22-8-10-24-11-9-22/h2-7,12-13H,8-11,14H2,1H3
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n/an/a 710n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50132364
PNG
(2-Morpholin-4-yl-6-phenyl-thiopyran-4-one | 2-morp...)
Show SMILES O=c1cc(sc(c1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C15H15NO2S/c17-13-10-14(12-4-2-1-3-5-12)19-15(11-13)16-6-8-18-9-7-16/h1-5,10-11H,6-9H2
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n/an/a 720n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178031
PNG
(7-(2-chlorobenzyloxy)-2-(morpholin-4-yl)-chromen-4...)
Show SMILES Clc1ccccc1COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H18ClNO4/c21-17-4-2-1-3-14(17)13-25-15-5-6-16-18(23)12-20(26-19(16)11-15)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
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n/an/a 790n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156497
PNG
(8-(5-Acetyl-thiophen-2-yl)-2-morpholin-4-yl-chrome...)
Show SMILES CC(=O)c1ccc(s1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO4S/c1-12(21)16-5-6-17(25-16)14-4-2-3-13-15(22)11-18(24-19(13)14)20-7-9-23-10-8-20/h2-6,11H,7-10H2,1H3
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n/an/a 800n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156499
PNG
(8-Benzo[b]thiophen-2-yl-2-morpholin-4-yl-chromen-4...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C21H17NO3S/c23-17-13-20(22-8-10-24-11-9-22)25-21-15(17)5-3-6-16(21)19-12-14-4-1-2-7-18(14)26-19/h1-7,12-13H,8-11H2
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n/an/a 800n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50178043
PNG
(7-(3-methylbenzyloxy)-2-morpholin-4-yl-chromen-4-o...)
Show SMILES Cc1cccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C21H21NO4/c1-15-3-2-4-16(11-15)14-25-17-5-6-18-19(23)13-21(26-20(18)12-17)22-7-9-24-10-8-22/h2-6,11-13H,7-10,14H2,1H3
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n/an/a 800n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156499
PNG
(8-Benzo[b]thiophen-2-yl-2-morpholin-4-yl-chromen-4...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C21H17NO3S/c23-17-13-20(22-8-10-24-11-9-22)25-21-15(17)5-3-6-16(21)19-12-14-4-1-2-7-18(14)26-19/h1-7,12-13H,8-11H2
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n/an/a 800n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156497
PNG
(8-(5-Acetyl-thiophen-2-yl)-2-morpholin-4-yl-chrome...)
Show SMILES CC(=O)c1ccc(s1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO4S/c1-12(21)16-5-6-17(25-16)14-4-2-3-13-15(22)11-18(24-19(13)14)20-7-9-23-10-8-20/h2-6,11H,7-10H2,1H3
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n/an/a 800n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178066
PNG
(CHEMBL372627 | methyl 3-(2-(morpholin-4-yl)-4-oxo-...)
Show SMILES COC(=O)c1cccc(COc2ccc3c(c2)oc(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C22H21NO6/c1-26-22(25)16-4-2-3-15(11-16)14-28-17-5-6-18-19(24)13-21(29-20(18)12-17)23-7-9-27-10-8-23/h2-6,11-13H,7-10,14H2,1H3
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n/an/a 840n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50156501
PNG
(8-(4-Methoxy-phenyl)-2-morpholin-4-yl-chromen-4-on...)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO4/c1-23-15-7-5-14(6-8-15)16-3-2-4-17-18(22)13-19(25-20(16)17)21-9-11-24-12-10-21/h2-8,13H,9-12H2,1H3
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n/an/a 900n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM


Bioorg Med Chem Lett 14: 6083-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.060
BindingDB Entry DOI: 10.7270/Q22J6BBN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50156501
PNG
(8-(4-Methoxy-phenyl)-2-morpholin-4-yl-chromen-4-on...)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO4/c1-23-15-7-5-14(6-8-15)16-3-2-4-17-18(22)13-19(25-20(16)17)21-9-11-24-12-10-21/h2-8,13H,9-12H2,1H3
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n/an/a 900n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50178070
PNG
(7-cyclohexylmethoxy-2-(morpholin-4-yl)-chromen-4-o...)
Show SMILES O=c1cc(oc2cc(OCC3CCCCC3)ccc12)N1CCOCC1
Show InChI InChI=1S/C20H25NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11,14H2
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n/an/a 940n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50159634
PNG
(7-Methoxy-2-morpholin-4-yl-chromen-4-one | CHEMBL1...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C14H15NO4/c1-17-10-2-3-11-12(16)9-14(19-13(11)8-10)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3
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n/an/a 950n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of DNA dependent protein kinase isolated from HeLa cells


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 catalytic subunit


(Homo sapiens (Human))
BDBM50178093
PNG
(8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one |...)
Show SMILES CC(=O)c1ccc(cc1)-c1cccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H19NO4/c1-14(23)15-5-7-16(8-6-15)17-3-2-4-18-19(24)13-20(26-21(17)18)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3
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n/an/a 1.00E+3n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50132359
PNG
(2-Morpholin-4-yl-6-phenyl-pyran-4-one | 2-morpholi...)
Show SMILES O=c1cc(oc(c1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C15H15NO3/c17-13-10-14(12-4-2-1-3-5-12)19-15(11-13)16-6-8-18-9-7-16/h1-5,10-11H,6-9H2
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n/an/a 1.10E+3n/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
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