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PubMed code 12941339

Compile data set for download or QSAR
Found 23 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 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
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))		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



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))		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))		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))		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))		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))		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))		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



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))		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))		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))		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))		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))		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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50132372
PNG
(2-(4-tert-Butyl-phenyl)-6-morpholin-4-yl-thiopyran...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(=O)cc(s1)N1CCOCC1
Show InChI InChI=1S/C19H23NO2S/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 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
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



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))		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 1.40E+3n/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
* indicates data uncertainty>20%