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PubMed code 26854431

Compile data set for download or QSAR
Found 47 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))
BDBM50147675
PNG
(CHEMBL3764883)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
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n/an/a 34n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147674
PNG
(CHEMBL3763392)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C24H18N2O4/c27-23-19-9-4-8-18(22(19)30-24(25-23)26-11-13-28-14-12-26)17-7-3-6-16-15-5-1-2-10-20(15)29-21(16)17/h1-10H,11-14H2
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n/an/a 269n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
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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n/an/a 300n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147680
PNG
(CHEMBL3763722)
Show SMILES Clc1cc(-c2cccc3c4ccccc4sc23)c2oc(nc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C24H17ClN2O3S/c25-14-12-18(17-6-3-5-16-15-4-1-2-7-20(15)31-22(16)17)21-19(13-14)23(28)26-24(30-21)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2
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n/an/a 564n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147683
PNG
(CHEMBL3765457)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H18N2O3/c25-21-19-10-4-9-18(17-8-3-6-15-5-1-2-7-16(15)17)20(19)27-22(23-21)24-11-13-26-14-12-24/h1-10H,11-14H2
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n/an/a 640n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(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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n/an/a 950n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(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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n/an/a 1.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147676
PNG
(CHEMBL3763878)
Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2
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n/an/a 2.12E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147677
PNG
(CHEMBL3764880)
Show SMILES COc1ccc(cc1)-c1cc(Cl)cc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-14-4-2-12(3-5-14)15-10-13(20)11-16-17(15)26-19(21-18(16)23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147684
PNG
(CHEMBL3765105)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147684
PNG
(CHEMBL3765105)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)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 3.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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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n/an/a 3.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147688
PNG
(CHEMBL3763205)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-12-13-4-6-14(7-5-13)15-2-1-3-16-17(15)25-19(20-18(16)23)21-8-10-24-11-9-21/h1-7,22H,8-12H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147681
PNG
(CHEMBL3764119)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-12-4-1-3-11(13-5-2-10-22-13)14(12)21-16(17-15)18-6-8-20-9-7-18/h1-5,10H,6-9H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)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 3.40E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147676
PNG
(CHEMBL3763878)
Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(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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n/an/a 4.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147681
PNG
(CHEMBL3764119)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-12-4-1-3-11(13-5-2-10-22-13)14(12)21-16(17-15)18-6-8-20-9-7-18/h1-5,10H,6-9H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)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 4.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147683
PNG
(CHEMBL3765457)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H18N2O3/c25-21-19-10-4-9-18(17-8-3-6-15-5-1-2-7-16(15)17)20(19)27-22(23-21)24-11-13-26-14-12-24/h1-10H,11-14H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147679
PNG
(CHEMBL3765110)
Show SMILES Clc1cc(-c2cc3ccccc3s2)c2oc(nc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C20H15ClN2O3S/c21-13-10-14(17-9-12-3-1-2-4-16(12)27-17)18-15(11-13)19(24)22-20(26-18)23-5-7-25-8-6-23/h1-4,9-11H,5-8H2
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n/an/a 5.77E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147675
PNG
(CHEMBL3764883)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
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n/an/a 5.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147678
PNG
(CHEMBL3763764)
Show SMILES Clc1cc(-c2cccs2)c2oc(nc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C16H13ClN2O3S/c17-10-8-11(13-2-1-7-23-13)14-12(9-10)15(20)18-16(22-14)19-3-5-21-6-4-19/h1-2,7-9H,3-6H2
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n/an/a 6.05E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147674
PNG
(CHEMBL3763392)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C24H18N2O4/c27-23-19-9-4-8-18(22(19)30-24(25-23)26-11-13-28-14-12-26)17-7-3-6-16-15-5-1-2-10-20(15)29-21(16)17/h1-10H,11-14H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147681
PNG
(CHEMBL3764119)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-12-4-1-3-11(13-5-2-10-22-13)14(12)21-16(17-15)18-6-8-20-9-7-18/h1-5,10H,6-9H2
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n/an/a 7.12E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147675
PNG
(CHEMBL3764883)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147686
PNG
(CHEMBL3763707)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O4/c20-17(23)13-6-4-12(5-7-13)14-2-1-3-15-16(14)26-19(21-18(15)24)22-8-10-25-11-9-22/h1-7H,8-11H2,(H2,20,23)
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n/an/a 8.81E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147688
PNG
(CHEMBL3763205)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-12-13-4-6-14(7-5-13)15-2-1-3-16-17(15)25-19(20-18(16)23)21-8-10-24-11-9-21/h1-7,22H,8-12H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)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 9.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147684
PNG
(CHEMBL3765105)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3
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n/an/a 9.94E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147687
PNG
(CHEMBL3765681)
Show SMILES Nc1cccc(c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17N3O3/c19-13-4-1-3-12(11-13)14-5-2-6-15-16(14)24-18(20-17(15)22)21-7-9-23-10-8-21/h1-6,11H,7-10,19H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147678
PNG
(CHEMBL3763764)
Show SMILES Clc1cc(-c2cccs2)c2oc(nc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C16H13ClN2O3S/c17-10-8-11(13-2-1-7-23-13)14-12(9-10)15(20)18-16(22-14)19-3-5-21-6-4-19/h1-2,7-9H,3-6H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147686
PNG
(CHEMBL3763707)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O4/c20-17(23)13-6-4-12(5-7-13)14-2-1-3-15-16(14)26-19(21-18(15)24)22-8-10-25-11-9-22/h1-7H,8-11H2,(H2,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147682
PNG
(CHEMBL3765523)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C17H15N3O3/c21-16-14-5-1-4-13(12-3-2-6-18-11-12)15(14)23-17(19-16)20-7-9-22-10-8-20/h1-6,11H,7-10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147676
PNG
(CHEMBL3763878)
Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147688
PNG
(CHEMBL3763205)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-12-13-4-6-14(7-5-13)15-2-1-3-16-17(15)25-19(20-18(16)23)21-8-10-24-11-9-21/h1-7,22H,8-12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147689
PNG
(CHEMBL3763897)
Show SMILES Clc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-4-12(5-7-13)14-2-1-3-15-16(14)24-18(20-17(15)22)21-8-10-23-11-9-21/h1-7H,8-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50147689
PNG
(CHEMBL3763897)
Show SMILES Clc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-4-12(5-7-13)14-2-1-3-15-16(14)24-18(20-17(15)22)21-8-10-23-11-9-21/h1-7H,8-11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147686
PNG
(CHEMBL3763707)
Show SMILES NC(=O)c1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O4/c20-17(23)13-6-4-12(5-7-13)14-2-1-3-15-16(14)26-19(21-18(15)24)22-8-10-25-11-9-22/h1-7H,8-11H2,(H2,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147689
PNG
(CHEMBL3763897)
Show SMILES Clc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-4-12(5-7-13)14-2-1-3-15-16(14)24-18(20-17(15)22)21-8-10-23-11-9-21/h1-7H,8-11H2
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n/an/a 1.09E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50147674
PNG
(CHEMBL3763392)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C24H18N2O4/c27-23-19-9-4-8-18(22(19)30-24(25-23)26-11-13-28-14-12-26)17-7-3-6-16-15-5-1-2-10-20(15)29-21(16)17/h1-10H,11-14H2
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MMDB

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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147677
PNG
(CHEMBL3764880)
Show SMILES COc1ccc(cc1)-c1cc(Cl)cc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-14-4-2-12(3-5-14)15-10-13(20)11-16-17(15)26-19(21-18(16)23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147688
PNG
(CHEMBL3763205)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-12-13-4-6-14(7-5-13)15-2-1-3-16-17(15)25-19(20-18(16)23)21-8-10-24-11-9-21/h1-7,22H,8-12H2
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n/an/a 1.57E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147683
PNG
(CHEMBL3765457)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H18N2O3/c25-21-19-10-4-9-18(17-8-3-6-15-5-1-2-7-16(15)17)20(19)27-22(23-21)24-11-13-26-14-12-24/h1-10H,11-14H2
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n/an/a 2.03E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147687
PNG
(CHEMBL3765681)
Show SMILES Nc1cccc(c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17N3O3/c19-13-4-1-3-12(11-13)14-5-2-6-15-16(14)24-18(20-17(15)22)21-7-9-23-10-8-21/h1-6,11H,7-10,19H2
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PubMed
n/an/a 6.35E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147682
PNG
(CHEMBL3765523)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C17H15N3O3/c21-16-14-5-1-4-13(12-3-2-6-18-11-12)15(14)23-17(19-16)20-7-9-22-10-8-20/h1-6,11H,7-10H2
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Article
PubMed
n/an/a 7.84E+4n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%