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Compile Data Set for Download or QSAR

Found 191 hits Enz. Inhib. hit(s) with all data for entry = 50010198   
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-protein kinase ATM


(Homo sapiens (Human))		BDBM50459018
PNG
(CHEMBL4166405)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535970
PNG
(CHEMBL4569967)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C22H19NO3S/c24-17-13-19(26-21(14-17)23-8-10-25-11-9-23)18-6-3-5-16-12-15-4-1-2-7-20(15)27-22(16)18/h1-7,13-14H,8-12H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50459007
PNG
(CHEMBL4218734)
Show SMILES COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535971
PNG
(CHEMBL4593348)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O
Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50459011
PNG
(CHEMBL4215266)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C24H25FN6O2/c1-13-11-31(3)30-22(13)14(2)29-23-18-7-17(15-5-6-16(12-33-4)27-9-15)20(25)8-21(18)28-10-19(23)24(26)32/h5-11,14H,12H2,1-4H3,(H2,26,32)(H,28,29)/t14-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535995
PNG
(CHEMBL4517663)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3F)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H22F2N6O2/c1-12(21-19(25)10-31(2)30-21)29-22-16-6-15(13-4-5-14(11-33-3)27-8-13)18(24)7-20(16)28-9-17(22)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,28,29)/t12-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50145038
PNG
(CHEMBL2143829)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50459018
PNG
(CHEMBL4166405)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50535990
PNG
(CHEMBL4527822)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50536001
PNG
(CHEMBL4576302)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O
Show InChI InChI=1S/C23H28N4O3S/c1-4-15(5-2)11-27-22-19-10-16(7-9-21(19)26-13-20(22)23(24)28)17-6-8-18(25-12-17)14-31(3,29)30/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535966
PNG
(CHEMBL4560522)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)nc1)C(N)=O
Show InChI InChI=1S/C23H28N4O2/c1-4-15(5-2)11-27-22-19-10-16(17-6-8-18(14-29-3)25-12-17)7-9-21(19)26-13-20(22)23(24)28/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kgamma using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50459007
PNG
(CHEMBL4218734)
Show SMILES COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535990
PNG
(CHEMBL4527822)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535982
PNG
(CHEMBL4567042)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(C)nc1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-4-15(5-2)11-26-21-18-10-16(17-7-6-14(3)24-12-17)8-9-20(18)25-13-19(21)22(23)27/h6-10,12-13,15H,4-5,11H2,1-3H3,(H2,23,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535979
PNG
(CHEMBL4533539)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)C3CCOCC3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C24H27FN4O3/c1-14(15-5-7-32-8-6-15)29-23-19-9-18(16-3-4-17(13-31-2)27-11-16)21(25)10-22(19)28-12-20(23)24(26)30/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,26,30)(H,28,29)/t14-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535994
PNG
(CHEMBL4548927)
Show SMILES COCc1ccc(c(F)n1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r|
Show InChI InChI=1S/C23H23FN6O2/c1-13(19-8-9-30(2)29-19)27-21-17-10-14(4-7-20(17)26-11-18(21)23(25)31)16-6-5-15(12-32-3)28-22(16)24/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,26,27)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50536000
PNG
(CHEMBL4519670)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)cc1)C(N)=O
Show InChI InChI=1S/C24H29N3O3S/c1-4-16(5-2)13-27-23-20-12-19(10-11-22(20)26-14-21(23)24(25)28)18-8-6-17(7-9-18)15-31(3,29)30/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535974
PNG
(CHEMBL4563993)
Show SMILES COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H22F2N6O2/c1-12(19-6-7-31(2)30-19)28-21-16-8-15(14-5-4-13(11-33-3)29-22(14)25)18(24)9-20(16)27-10-17(21)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,27,28)/t12-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535969
PNG
(CHEMBL4543897)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O
Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535981
PNG
(CHEMBL4588822)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O
Show InChI InChI=1S/C22H26N4O2/c1-3-14(4-2)10-26-21-18-9-15(16-5-7-17(13-27)24-11-16)6-8-20(18)25-12-19(21)22(23)28/h5-9,11-12,14,27H,3-4,10,13H2,1-2H3,(H2,23,28)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50535971
PNG
(CHEMBL4593348)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O
Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50535990
PNG
(CHEMBL4527822)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50536004
PNG
(CHEMBL4591401)
Show SMILES C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|
Show InChI InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535980
PNG
(CHEMBL4514524)
Show SMILES NC(=O)c1cnc2ccc(cc2c1NC1CCCCC1)-c1cccnc1
Show InChI InChI=1S/C21H22N4O/c22-21(26)18-13-24-19-9-8-14(15-5-4-10-23-12-15)11-17(19)20(18)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535977
PNG
(CHEMBL4578468)
Show SMILES NC(=O)c1cnc2ccc(cc2c1NC1CCCC1)-c1cccnc1
Show InChI InChI=1S/C20H20N4O/c21-20(25)17-12-23-18-8-7-13(14-4-3-9-22-11-14)10-16(18)19(17)24-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6H2,(H2,21,25)(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50535990
PNG
(CHEMBL4527822)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535970
PNG
(CHEMBL4569967)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C22H19NO3S/c24-17-13-19(26-21(14-17)23-8-10-25-11-9-23)18-6-3-5-16-12-15-4-1-2-7-20(15)27-22(16)18/h1-7,13-14H,8-12H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535985
PNG
(CHEMBL4548199)
Show SMILES C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)C1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O2/c1-14(15-6-9-28-10-7-15)26-21-18-11-16(17-3-2-8-24-12-17)4-5-20(18)25-13-19(21)22(23)27/h2-5,8,11-15H,6-7,9-10H2,1H3,(H2,23,27)(H,25,26)/t14-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50535972
PNG
(CHEMBL4565988)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClN4O/c1-14(15-4-7-18(24)8-5-15)28-22-19-11-16(17-3-2-10-26-12-17)6-9-21(19)27-13-20(22)23(25)29/h2-14H,1H3,(H2,25,29)(H,27,28)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged recombinant mTOR (1362 to 2549 residues) (unknown origin) using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-P...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50535970
PNG
(CHEMBL4569967)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C22H19NO3S/c24-17-13-19(26-21(14-17)23-8-10-25-11-9-23)18-6-3-5-16-12-15-4-1-2-7-20(15)27-22(16)18/h1-7,13-14H,8-12H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50535990
PNG
(CHEMBL4527822)
Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kgamma using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50535971
PNG
(CHEMBL4593348)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O
Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50535991
PNG
(CHEMBL4543599)
Show SMILES CCC(CC)CNc1c(cnc2c(C)cc(cc12)-c1cccnc1)C(N)=O
Show InChI InChI=1S/C22H26N4O/c1-4-15(5-2)11-25-21-18-10-17(16-7-6-8-24-12-16)9-14(3)20(18)26-13-19(21)22(23)27/h6-10,12-13,15H,4-5,11H2,1-3H3,(H2,23,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50459018
PNG
(CHEMBL4166405)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535999
PNG
(CHEMBL4551177)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)cc1)C(N)=O
Show InChI InChI=1S/C24H29N3O2/c1-4-16(5-2)13-27-23-20-12-19(18-8-6-17(7-9-18)15-29-3)10-11-22(20)26-14-21(23)24(25)28/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535984
PNG
(CHEMBL4569880)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)12-25-20-17-11-16(15-7-9-23-10-8-15)5-6-19(17)24-13-18(20)21(22)26/h5-11,13-14H,3-4,12H2,1-2H3,(H2,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50459018
PNG
(CHEMBL4166405)
Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50535970
PNG
(CHEMBL4569967)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1
Show InChI InChI=1S/C22H19NO3S/c24-17-13-19(26-21(14-17)23-8-10-25-11-9-23)18-6-3-5-16-12-15-4-1-2-7-20(15)27-22(16)18/h1-7,13-14H,8-12H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535998
PNG
(CHEMBL4550293)
Show SMILES NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1
Show InChI InChI=1S/C22H24N4O/c23-22(27)19-14-25-20-9-8-16(17-7-4-10-24-13-17)11-18(20)21(19)26-12-15-5-2-1-3-6-15/h4,7-11,13-15H,1-3,5-6,12H2,(H2,23,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 458n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))		BDBM50535996
PNG
(CHEMBL4549865)
Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cnn(C)c1)C(N)=O
Show InChI InChI=1S/C20H25N5O/c1-4-13(5-2)9-23-19-16-8-14(15-10-24-25(3)12-15)6-7-18(16)22-11-17(19)20(21)26/h6-8,10-13H,4-5,9H2,1-3H3,(H2,21,26)(H,22,23)
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n/an/a 525n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...

J Med Chem 59: 6281-92 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00519
BindingDB Entry DOI: 10.7270/Q2NV9NR8
More data for this
Ligand-Target Pair
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