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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase' and Ligand = 'BDBM50156495'   
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))
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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0.650n/an/an/an/an/an/an/an/a



School of Natural Sciences--Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA-dependent protein kinase receptor


J Med Chem 48: 7829-46 (2005)


Article DOI: 10.1021/jm050444b
BindingDB Entry DOI: 10.7270/Q2Z31Z60
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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
DNA-dependent protein kinase


(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 12n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent protein kinase


Bioorg Med Chem Lett 18: 4885-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.066
BindingDB Entry DOI: 10.7270/Q2J10305
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 14n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin)


J Med Chem 58: 41-71 (2015)


Article DOI: 10.1021/jm501026z
BindingDB Entry DOI: 10.7270/Q2P84DJ7
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 14n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin)


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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
DNA-dependent protein kinase


(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 28n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Bioorg Med Chem Lett 21: 966-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.047
BindingDB Entry DOI: 10.7270/Q2G73F0W
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 30n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at Ser2056 residue in human CLL cells by Western blot method


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 30n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-dependent protein kinase


Bioorg Med Chem Lett 20: 3649-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.102
BindingDB Entry DOI: 10.7270/Q2R49QX1
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 40n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin)


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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 42n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(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/an/an/a 212n/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells


J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair