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PubMed code 21664823

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347195
PNG
(CHEMBL1795747)
Show SMILES O=c1nc(oc2cc3ccc(OCc4ccccn4)cc3cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-19-12-16-11-18(28-14-17-3-1-2-6-23-17)5-4-15(16)13-20(19)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2
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n/an/a 96n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347200
PNG
(CHEMBL1795752)
Show SMILES CN1CCN(CCOc2ccc3cc4oc(nc(=O)c4cc3c2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H28N4O4/c1-25-4-6-26(7-5-25)8-13-30-19-3-2-17-16-21-20(15-18(17)14-19)22(28)24-23(31-21)27-9-11-29-12-10-27/h2-3,14-16H,4-13H2,1H3
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n/an/a 190n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 300n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347198
PNG
(CHEMBL1795750)
Show SMILES O=c1nc(oc2cc3c(OCc4cccnc4)cccc3cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-18-11-16-4-1-5-19(28-14-15-3-2-6-23-13-15)17(16)12-20(18)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2
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n/an/a 330n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347191
PNG
(CHEMBL1795743)
Show SMILES O=c1nc(oc2c3ccccc3ccc12)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3/c19-15-13-6-5-11-3-1-2-4-12(11)14(13)21-16(17-15)18-7-9-20-10-8-18/h1-6H,7-10H2
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n/an/a 420n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347194
PNG
(CHEMBL1795746)
Show SMILES O=c1nc(oc2c3ccccc3c(OCc3cccnc3)cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-18-12-19(28-14-15-4-3-7-23-13-15)16-5-1-2-6-17(16)20(18)29-22(24-21)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2
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n/an/a 717n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347190
PNG
(CHEMBL1795742)
Show SMILES O=c1nc(oc2ccc3ccccc3c12)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3/c19-15-14-12-4-2-1-3-11(12)5-6-13(14)21-16(17-15)18-7-9-20-10-8-18/h1-6H,7-10H2
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n/an/a 720n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347199
PNG
(CHEMBL1795751)
Show SMILES CN1CCN(CCOc2cc3c(oc(nc3=O)N3CCOCC3)c3ccccc23)CC1
Show InChI InChI=1S/C23H28N4O4/c1-25-6-8-26(9-7-25)10-15-30-20-16-19-21(18-5-3-2-4-17(18)20)31-23(24-22(19)28)27-11-13-29-14-12-27/h2-5,16H,6-15H2,1H3
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n/an/a 760n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347197
PNG
(CHEMBL1795749)
Show SMILES O=c1nc(oc2cc3c(OCc4ccccn4)cccc3cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-18-12-15-4-3-6-19(28-14-16-5-1-2-7-23-16)17(15)13-20(18)29-22(24-21)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2
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n/an/a 930n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347196
PNG
(CHEMBL1795748)
Show SMILES O=c1nc(oc2cc3ccc(OCc4cccnc4)cc3cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-19-11-17-10-18(28-14-15-2-1-5-23-13-15)4-3-16(17)12-20(19)29-22(24-21)25-6-8-27-9-7-25/h1-5,10-13H,6-9,14H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347193
PNG
(CHEMBL1795745)
Show SMILES O=c1nc(oc2c3ccccc3c(OCc3ccccn3)cc12)N1CCOCC1
Show InChI InChI=1S/C22H19N3O4/c26-21-18-13-19(28-14-15-5-3-4-8-23-15)16-6-1-2-7-17(16)20(18)29-22(24-21)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2
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n/an/a 2.43E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347201
PNG
(CHEMBL1795753)
Show SMILES CN1CCN(CCOc2cccc3cc4c(cc23)oc(nc4=O)N2CCOCC2)CC1
Show InChI InChI=1S/C23H28N4O4/c1-25-5-7-26(8-6-25)9-14-30-20-4-2-3-17-15-19-21(16-18(17)20)31-23(24-22(19)28)27-10-12-29-13-11-27/h2-4,15-16H,5-14H2,1H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50159678
PNG
(3-Morpholin-4-yl-benzo[f]chromen-1-one | 3-morphol...)
Show SMILES O=c1cc(oc2ccc3ccccc3c12)N1CCOCC1
Show InChI InChI=1S/C17H15NO3/c19-14-11-16(18-7-9-20-10-8-18)21-15-6-5-12-3-1-2-4-13(12)17(14)15/h1-6,11H,7-10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50347192
PNG
(CHEMBL1795744)
Show SMILES O=c1nc(oc2cc3ccccc3cc12)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3/c19-15-13-9-11-3-1-2-4-12(11)10-14(13)21-16(17-15)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of purified DNA-PK by ADP-Glo Kinase assay


Bioorg Med Chem 19: 3983-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.032
BindingDB Entry DOI: 10.7270/Q20Z73M7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%