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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50015485   
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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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))
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))
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))
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))
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))
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))
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))
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))
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))
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 1.20E+3n/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))
BDBM50098118
PNG
((2S,4R)-4-Mercapto-2-(2,4,5-trifluoro-benzyloxymet...)
Show SMILES O=c1cc(oc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
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n/an/a 1.30E+3n/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
Serine/threonine-protein kinase mTOR


(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 1.70E+3n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mammalian target of Rapamycin mTOR


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
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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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Phosphatidylinositol 3-kinase p110 alpha subunit


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
Serine/threonine-protein kinase mTOR


(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 2.50E+3n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mammalian target of Rapamycin mTOR


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 5.00E+3n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Phosphatidylinositol 3-kinase p110 alpha subunit


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
Serine/threonine-protein kinase mTOR


(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 6.40E+3n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mammalian target of Rapamycin mTOR


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 1.30E+4n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Phosphatidylinositol 3-kinase p110 alpha subunit


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
Serine-protein kinase ATM


(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>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mutated in ataxia telangiectasia protein ATM kinase


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
Serine/threonine-protein kinase ATR


(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>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Ataxia telangiectasia related protein ATR kinase


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
Serine-protein kinase ATM


(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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mutated in ataxia telangiectasia protein ATM kinase


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
Serine/threonine-protein kinase ATR


(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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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Ataxia telangiectasia related protein ATR kinase


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
Serine/threonine-protein kinase ATR


(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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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Ataxia telangiectasia related protein ATR kinase


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
Serine-protein kinase ATM


(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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Mutated in ataxia telangiectasia protein ATM kinase


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