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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'hollick' 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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM181015
PNG
(US9133199, 254)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCN(C)CC1
Show InChI InChI=1S/C28H38N8O3/c1-33-12-14-35(15-13-33)32-25(37)19-8-9-21(23(16-19)39-3)30-27-29-17-22-24(31-27)36(20-6-4-5-7-20)18-28(10-11-28)26(38)34(22)2/h8-9,16-17,20H,4-7,10-15,18H2,1-3H3,(H,32,37)(H,29,30,31)
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<10n/an/an/an/an/an/a7.5n/a



Cyclacel Limited

US Patent


Assay Description
CDC25C (2 ug/well) with PLKl (1 ug/well) in 20 mM Tris/HCl buffer pH 7.5, supplemented with 25 mM beta-glycerophosphate, 5 mM EGTA, 1 mM DTT and 1 mM...


US Patent US9133199 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM181016
PNG
(US9133199, I-253)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCCC1
Show InChI InChI=1S/C27H35N7O3/c1-32-21-16-28-26(30-23(21)34(19-7-3-4-8-19)17-27(11-12-27)25(32)36)29-20-10-9-18(15-22(20)37-2)24(35)31-33-13-5-6-14-33/h9-10,15-16,19H,3-8,11-14,17H2,1-2H3,(H,31,35)(H,28,29,30)
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<10n/an/an/an/an/an/a7.5n/a



Cyclacel Limited

US Patent


Assay Description
CDC25C (2 ug/well) with PLKl (1 ug/well) in 20 mM Tris/HCl buffer pH 7.5, supplemented with 25 mM beta-glycerophosphate, 5 mM EGTA, 1 mM DTT and 1 mM...


US Patent US9133199 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VNZ
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50208517
PNG
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)
Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
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n/an/a 13n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132371
PNG
(2-Morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thio...)
Show SMILES O=c1cc(sc(c1)-c1ccc(cc1)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C25H21NO2S/c27-21-16-24(29-25(17-21)26-12-14-28-15-13-26)20-10-8-19(9-11-20)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,16-17H,12-15H2
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n/an/a 160n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132373
PNG
(2-(4-(benzo[b]thiophen-3-yl)phenyl)-6-morpholino-4...)
Show SMILES O=c1cc(sc(c1)-c1ccc(cc1)-c1csc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C23H19NO2S2/c25-18-13-22(28-23(14-18)24-9-11-26-12-10-24)17-7-5-16(6-8-17)20-15-27-21-4-2-1-3-19(20)21/h1-8,13-15H,9-12H2
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n/an/a 160n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132355
PNG
(2-(4-Chloro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 180n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132355
PNG
(2-(4-Chloro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 180n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132371
PNG
(2-Morpholin-4-yl-6-(4-naphthalen-1-yl-phenyl)-thio...)
Show SMILES O=c1cc(sc(c1)-c1ccc(cc1)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C25H21NO2S/c27-21-16-24(29-25(17-21)26-12-14-28-15-13-26)20-10-8-19(9-11-20)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,16-17H,12-15H2
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n/an/a 190n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132361
PNG
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132361
PNG
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 220n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
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
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132368
PNG
(2-[4-(4-Methyl-naphthalen-1-yl)-phenyl]-6-morpholi...)
Show SMILES Cc1ccc(-c2ccc(cc2)-c2cc(=O)cc(s2)N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C26H23NO2S/c1-18-6-11-23(24-5-3-2-4-22(18)24)19-7-9-20(10-8-19)25-16-21(28)17-26(30-25)27-12-14-29-15-13-27/h2-11,16-17H,12-15H2,1H3
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n/an/a 260n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132368
PNG
(2-[4-(4-Methyl-naphthalen-1-yl)-phenyl]-6-morpholi...)
Show SMILES Cc1ccc(-c2ccc(cc2)-c2cc(=O)cc(s2)N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C26H23NO2S/c1-18-6-11-23(24-5-3-2-4-22(18)24)19-7-9-20(10-8-19)25-16-21(28)17-26(30-25)27-12-14-29-15-13-27/h2-11,16-17H,12-15H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132365
PNG
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-thiopyran-4-...)
Show SMILES COc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C16H17NO3S/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 280n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132365
PNG
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-thiopyran-4-...)
Show SMILES COc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C16H17NO3S/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132363
PNG
(2-(2-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1ccccc1-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 310n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132373
PNG
(2-(4-(benzo[b]thiophen-3-yl)phenyl)-6-morpholino-4...)
Show SMILES O=c1cc(sc(c1)-c1ccc(cc1)-c1csc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C23H19NO2S2/c25-18-13-22(28-23(14-18)24-9-11-26-12-10-24)17-7-5-16(6-8-17)20-15-27-21-4-2-1-3-19(20)21/h1-8,13-15H,9-12H2
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n/an/a 330n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132370
PNG
(2-(4-Fluoro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 350n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132366
PNG
(2-(4'-Hydroxy-biphenyl-3-yl)-6-morpholin-4-yl-thio...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C21H19NO3S/c23-18-6-4-15(5-7-18)16-2-1-3-17(12-16)20-13-19(24)14-21(26-20)22-8-10-25-11-9-22/h1-7,12-14,23H,8-11H2
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n/an/a 350n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132370
PNG
(2-(4-Fluoro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 350n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132363
PNG
(2-(2-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1ccccc1-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208499
PNG
(6-(2-fluorophenyl)-2-(4-morpholin-4-yl)pyran-4-one...)
Show SMILES Fc1ccccc1-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14FNO3/c16-13-4-2-1-3-12(13)14-9-11(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 390n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208505
PNG
(2-(1H-indol-5-yl)-6-morpholino-4H-pyran-4-one | CH...)
Show SMILES O=c1cc(oc(c1)-c1ccc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C17H16N2O3/c20-14-10-16(13-1-2-15-12(9-13)3-4-18-15)22-17(11-14)19-5-7-21-8-6-19/h1-4,9-11,18H,5-8H2
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n/an/a 400n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208552
PNG
(6-(4-chlorophenyl)-4-morpholino-2H-pyran-2-one | C...)
Show SMILES Clc1ccc(cc1)-c1cc(cc(=O)o1)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(10-15(18)20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 470n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132358
PNG
(2-(4-tert-Butyl-phenyl)-6-morpholin-4-yl-pyran-4-o...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C19H23NO3/c1-19(2,3)15-6-4-14(5-7-15)17-12-16(21)13-18(23-17)20-8-10-22-11-9-20/h4-7,12-13H,8-11H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132358
PNG
(2-(4-tert-Butyl-phenyl)-6-morpholin-4-yl-pyran-4-o...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C19H23NO3/c1-19(2,3)15-6-4-14(5-7-15)17-12-16(21)13-18(23-17)20-8-10-22-11-9-20/h4-7,12-13H,8-11H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208494
PNG
(2-(4-(6-morpholino-4-oxo-4H-pyran-2-yl)benzyl)isoi...)
Show SMILES O=C1N(Cc2ccc(cc2)-c2cc(=O)cc(o2)N2CCOCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H20N2O5/c27-18-13-21(31-22(14-18)25-9-11-30-12-10-25)17-7-5-16(6-8-17)15-26-23(28)19-3-1-2-4-20(19)24(26)29/h1-8,13-14H,9-12,15H2
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n/an/a 500n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208558
PNG
(6-(4-methoxyphenyl)-4-morpholino-2H-pyran-2-one | ...)
Show SMILES COc1ccc(cc1)-c1cc(cc(=O)o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-12(3-5-14)15-10-13(11-16(18)21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132369
PNG
(2-(4-Chloro-phenyl)-6-morpholin-4-yl-thiopyran-4-o...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO2S/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 530n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132369
PNG
(2-(4-Chloro-phenyl)-6-morpholin-4-yl-thiopyran-4-o...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14ClNO2S/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 530n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132360
PNG
(2-(3-Fluoro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Fc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14FNO3/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
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n/an/a 530n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132356
PNG
(2-(3-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-3-12(9-14)15-10-13(18)11-16(21-15)17-5-7-20-8-6-17/h2-4,9-11H,5-8H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132356
PNG
(2-(3-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)
Show SMILES COc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-3-12(9-14)15-10-13(18)11-16(21-15)17-5-7-20-8-6-17/h2-4,9-11H,5-8H2,1H3
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n/an/a 540n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208507
PNG
(2-(benzo[b]thiophen-2-yl)-6-morpholino-4H-pyran-4-...)
Show SMILES O=c1cc(oc(c1)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-13-10-14(16-9-12-3-1-2-4-15(12)22-16)21-17(11-13)18-5-7-20-8-6-18/h1-4,9-11H,5-8H2
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n/an/a 600n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
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 650n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132367
PNG
(2-(4-Bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-on...)
Show SMILES Brc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14BrNO2S/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 680n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132367
PNG
(2-(4-Bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-on...)
Show SMILES Brc1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14BrNO2S/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
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n/an/a 680n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208557
PNG
(CHEMBL222820 | N-[3'-(6-morpholin-4-yl-4-oxo-4H-th...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C23H22N2O3S/c1-16(26)24-20-7-3-5-18(13-20)17-4-2-6-19(12-17)22-14-21(27)15-23(29-22)25-8-10-28-11-9-25/h2-7,12-15H,8-11H2,1H3,(H,24,26)
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n/an/a 680n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132360
PNG
(2-(3-Fluoro-phenyl)-6-morpholin-4-yl-pyran-4-one |...)
Show SMILES Fc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1
Show InChI InChI=1S/C15H14FNO3/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
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n/an/a 690n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132354
PNG
(2-(3-Bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-on...)
Show SMILES Brc1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14BrNO2S/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
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n/an/a 700n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
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



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208500
PNG
(2-biphenyl-4-yl-6-morpholin-4-yl-pyran-4-one | CHE...)
Show SMILES O=c1cc(oc(c1)-c1ccc(cc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H19NO3/c23-19-14-20(25-21(15-19)22-10-12-24-13-11-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2
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n/an/a 800n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132354
PNG
(2-(3-Bromo-phenyl)-6-morpholin-4-yl-thiopyran-4-on...)
Show SMILES Brc1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14BrNO2S/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
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n/an/a 800n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208493
PNG
(2-(benzofuran-2-yl)-6-morpholino-4H-pyran-4-one | ...)
Show SMILES O=c1cc(oc(c1)-c1cc2ccccc2o1)N1CCOCC1
Show InChI InChI=1S/C17H15NO4/c19-13-10-16(15-9-12-3-1-2-4-14(12)21-15)22-17(11-13)18-5-7-20-8-6-18/h1-4,9-11H,5-8H2
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n/an/a 800n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132357
PNG
((E)-3-[3'-(6-Morpholin-4-yl-4-oxo-4H-thiopyran-2-y...)
Show SMILES COC(=O)\C=C\c1ccccc1-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C25H23NO4S/c1-29-25(28)10-9-18-5-2-3-8-22(18)19-6-4-7-20(15-19)23-16-21(27)17-24(31-23)26-11-13-30-14-12-26/h2-10,15-17H,11-14H2,1H3/b10-9+
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n/an/a 840n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132357
PNG
((E)-3-[3'-(6-Morpholin-4-yl-4-oxo-4H-thiopyran-2-y...)
Show SMILES COC(=O)\C=C\c1ccccc1-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C25H23NO4S/c1-29-25(28)10-9-18-5-2-3-8-22(18)19-6-4-7-20(15-19)23-16-21(27)17-24(31-23)26-11-13-30-14-12-26/h2-10,15-17H,11-14H2,1H3/b10-9+
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n/an/a 840n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208495
PNG
(2-morpholino-6-(quinolin-8-yl)-4H-pyran-4-one | CH...)
Show SMILES O=c1cc(oc(c1)-c1cccc2cccnc12)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-14-11-16(23-17(12-14)20-7-9-22-10-8-20)15-5-1-3-13-4-2-6-19-18(13)15/h1-6,11-12H,7-10H2
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n/an/a 900n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50208533
PNG
(2-(4-(benzyloxy)phenyl)-6-morpholino-4H-pyran-4-on...)
Show SMILES O=c1cc(oc(c1)-c1ccc(OCc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H21NO4/c24-19-14-21(27-22(15-19)23-10-12-25-13-11-23)18-6-8-20(9-7-18)26-16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
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n/an/a 910n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK in HeLa cell nuclear extracts


J Med Chem 50: 1958-72 (2007)


Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50132362
PNG
(2-(3'-hydroxy-biphenyl-3-yl)-6-morpholin-4-yl-thio...)
Show SMILES Oc1cccc(c1)-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C21H19NO3S/c23-18-6-2-4-16(12-18)15-3-1-5-17(11-15)20-13-19(24)14-21(26-20)22-7-9-25-10-8-22/h1-6,11-14,23H,7-10H2
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n/an/a 920n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.


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


BindingDB Entry DOI: 10.7270/Q2WS8SP4
More data for this
Ligand-Target Pair
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