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Compile Data Set for Download or QSAR

Found 80 hits from Duke University School of Medicine   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145037
PNG
(CHEMBL3765783)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Sc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1
Show InChI InChI=1S/C29H31N3O5S2/c1-18-15-31(16-19(2)36-18)17-27(34)30-20-6-7-24-26(12-20)38-25-5-3-4-22(29(25)39-24)23-13-21(33)14-28(37-23)32-8-10-35-11-9-32/h3-7,12-14,18-19H,8-11,15-17H2,1-2H3,(H,30,34)/t18-,19+
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n/an/a 6.30n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin)


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin)


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
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



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ATM using p53 as substrate preincubated for 10 mins by ELISA


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
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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n/an/a 20n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged ATM (unknown origin) using p53 as substrate by ELISA


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
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 250n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM in human U2OS cells assessed as inhibition of p53 phosphorylation at Ser15 residue


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
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 300n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
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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n/an/a 400n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144958
PNG
(CHEMBL3763939)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C23H26N8O4/c1-23(2,3)35-22(32)26-9-10-34-18-11-14-16(12-17(18)33-4)27-13-28-20(14)31-21(24)29-19(30-31)15-7-5-6-8-25-15/h5-8,11-13H,9-10H2,1-4H3,(H,26,32)(H2,24,29,30)
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n/an/a 800n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144957
PNG
(CHEMBL3765373)
Show SMILES CCOC(=O)NCCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
Show InChI InChI=1S/C22H24N8O4/c1-3-33-22(31)25-9-6-10-34-18-11-14-16(12-17(18)32-2)26-13-27-20(14)30-21(23)28-19(29-30)15-7-4-5-8-24-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,25,31)(H2,23,28,29)
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n/an/a 800n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144959
PNG
(CHEMBL3764231)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C25H30N8O4/c1-25(2,3)37-24(34)28-11-7-8-12-36-20-13-16-18(14-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-9-5-6-10-27-17/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,34)(H2,26,31,32)
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n/an/a 800n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144960
PNG
(CHEMBL3763565)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28N8O4/c1-24(2,3)36-23(33)27-10-7-11-35-19-12-15-17(13-18(19)34-4)28-14-29-21(15)32-22(25)30-20(31-32)16-8-5-6-9-26-16/h5-6,8-9,12-14H,7,10-11H2,1-4H3,(H,27,33)(H2,25,30,31)
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n/an/a 900n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144956
PNG
(CHEMBL3764768)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)C
Show InChI InChI=1S/C23H26N8O4/c1-14(2)35-23(32)26-9-6-10-34-19-11-15-17(12-18(19)33-3)27-13-28-21(15)31-22(24)29-20(30-31)16-7-4-5-8-25-16/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,26,32)(H2,24,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144963
PNG
(CHEMBL3763358)
Show SMILES COCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
Show InChI InChI=1S/C19H19N7O3/c1-27-7-8-29-16-9-12-14(10-15(16)28-2)22-11-23-18(12)26-19(20)24-17(25-26)13-5-3-4-6-21-13/h3-6,9-11H,7-8H2,1-2H3,(H2,20,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144955
PNG
(CHEMBL3764022)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(F)(F)F
Show InChI InChI=1S/C22H21F3N8O4/c1-35-16-10-15-13(9-17(16)36-8-4-7-28-21(34)37-11-22(23,24)25)19(30-12-29-15)33-20(26)31-18(32-33)14-5-2-3-6-27-14/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3,(H,28,34)(H2,26,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144981
PNG
(CHEMBL3764372)
Show SMILES COc1cc2ncnc(-n3nc(cc3N)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C18H16N6O2/c1-25-15-7-11-13(8-16(15)26-2)21-10-22-18(11)24-17(19)9-14(23-24)12-5-3-4-6-20-12/h3-10H,19H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144964
PNG
(CHEMBL3763863)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CC(C)OC(C)C1
Show InChI InChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144961
PNG
(CHEMBL3764983)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C27H33N9O4/c1-17-13-35(14-18(2)40-17)15-24(37)30-9-6-10-39-23-11-19-21(12-22(23)38-3)31-16-32-26(19)36-27(28)33-25(34-36)20-7-4-5-8-29-20/h4-5,7-8,11-12,16-18H,6,9-10,13-15H2,1-3H3,(H,30,37)(H2,28,33,34)/t17-,18+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144965
PNG
(CHEMBL3763259)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCC(C)CC1
Show InChI InChI=1S/C24H28N8O2/c1-16-6-9-31(10-7-16)11-12-34-21-13-17-19(14-20(21)33-2)27-15-28-23(17)32-24(25)29-22(30-32)18-5-3-4-8-26-18/h3-5,8,13-16H,6-7,9-12H2,1-2H3,(H2,25,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144952
PNG
(CHEMBL3765095)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(C)(C)C
Show InChI InChI=1S/C25H30N8O4/c1-25(2,3)14-37-24(34)28-10-7-11-36-20-12-16-18(13-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-8-5-6-9-27-17/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,28,34)(H2,26,31,32)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145002
PNG
(CHEMBL3763603)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H16N6O2/c1-25-14-8-12-13(9-15(14)26-2)20-10-21-17(12)24-18(19)22-16(23-24)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,19,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144987
PNG
(CHEMBL3764633)
Show SMILES COc1cc2nc(N)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C17H16N8O2/c1-26-12-7-9-11(8-13(12)27-2)21-16(18)23-15(9)25-17(19)22-14(24-25)10-5-3-4-6-20-10/h3-8H,1-2H3,(H2,18,21,23)(H2,19,22,24)
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Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144971
PNG
(CHEMBL3764051)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C23H26N8O3/c1-32-19-14-18-16(13-20(19)34-10-4-7-30-8-11-33-12-9-30)22(27-15-26-18)31-23(24)28-21(29-31)17-5-2-3-6-25-17/h2-3,5-6,13-15H,4,7-12H2,1H3,(H2,24,28,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144997
PNG
(CHEMBL3764300)
Show SMILES COCCOc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCOC
Show InChI InChI=1S/C21H23N7O4/c1-29-7-9-31-17-11-14-16(12-18(17)32-10-8-30-2)24-13-25-20(14)28-21(22)26-19(27-28)15-5-3-4-6-23-15/h3-6,11-13H,7-10H2,1-2H3,(H2,22,26,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144977
PNG
(CHEMBL3764371)
Show SMILES COc1cc2ncnc(-n3ncc(c3N)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C18H16N6O2/c1-25-15-7-11-14(8-16(15)26-2)21-10-22-18(11)24-17(19)12(9-23-24)13-5-3-4-6-20-13/h3-10H,19H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144967
PNG
(CHEMBL3763333)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCC1
Show InChI InChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144951
PNG
(CHEMBL3764626)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N8O3/c1-34-15-10-14-12(9-16(15)35-8-4-7-27-19(33)21(22,23)24)18(29-11-28-14)32-20(25)30-17(31-32)13-5-2-3-6-26-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,27,33)(H2,25,30,31)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145003
PNG
(CHEMBL3765732)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccncc3)c2cc1OC
Show InChI InChI=1S/C17H15N7O2/c1-25-13-7-11-12(8-14(13)26-2)20-9-21-16(11)24-17(18)22-15(23-24)10-3-5-19-6-4-10/h3-9H,1-2H3,(H2,18,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144983
PNG
(CHEMBL3763767)
Show SMILES COc1cc2ncnc(-n3cnc(n3)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C17H14N6O2/c1-24-14-7-11-13(8-15(14)25-2)19-9-20-17(11)23-10-21-16(22-23)12-5-3-4-6-18-12/h3-10H,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144962
PNG
(CHEMBL3763327)
Show SMILES CCN(CC)C(=O)COc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
Show InChI InChI=1S/C22H24N8O3/c1-4-29(5-2)19(31)12-33-18-10-14-16(11-17(18)32-3)25-13-26-21(14)30-22(23)27-20(28-30)15-8-6-7-9-24-15/h6-11,13H,4-5,12H2,1-3H3,(H2,23,27,28)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144966
PNG
(CHEMBL3764577)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C23H26N8O2/c1-32-19-14-18-16(13-20(19)33-12-11-30-9-5-2-6-10-30)22(27-15-26-18)31-23(24)28-21(29-31)17-7-3-4-8-25-17/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H2,24,28,29)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144968
PNG
(CHEMBL3765728)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C24H30N8O2/c1-15(2)31(16(3)4)10-11-34-21-12-17-19(13-20(21)33-5)27-14-28-23(17)32-24(25)29-22(30-32)18-8-6-7-9-26-18/h6-9,12-16H,10-11H2,1-5H3,(H2,25,29,30)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144969
PNG
(CHEMBL3765428)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN(C)C
Show InChI InChI=1S/C21H24N8O2/c1-28(2)9-6-10-31-18-11-14-16(12-17(18)30-3)24-13-25-20(14)29-21(22)26-19(27-29)15-7-4-5-8-23-15/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H2,22,26,27)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144975
PNG
(CHEMBL3763312)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C23H19N7O2/c1-31-19-12-18-16(11-20(19)32-13-15-7-3-2-4-8-15)22(27-14-26-18)30-23(24)28-21(29-30)17-9-5-6-10-25-17/h2-12,14H,13H2,1H3,(H2,24,28,29)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144989
PNG
(CHEMBL3765484)
Show SMILES COc1cc2nc(C)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C18H17N7O2/c1-10-21-13-9-15(27-3)14(26-2)8-11(13)17(22-10)25-18(19)23-16(24-25)12-6-4-5-7-20-12/h4-9H,1-3H3,(H2,19,23,24)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144984
PNG
(CHEMBL3764259)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C21H18N4O2/c1-26-19-11-16-18(12-20(19)27-2)23-13-24-21(16)25-15-8-6-14(7-9-15)17-5-3-4-10-22-17/h3-13H,1-2H3,(H,23,24,25)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144974
PNG
(CHEMBL3764148)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1O
Show InChI InChI=1S/C16H13N7O2/c1-25-13-7-11-9(6-12(13)24)15(20-8-19-11)23-16(17)21-14(22-23)10-4-2-3-5-18-10/h2-8,24H,1H3,(H2,17,21,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144982
PNG
(CHEMBL3763556)
Show SMILES COc1cc2ncnc(-n3ncc(n3)-c3ccccn3)c2cc1OC
Show InChI InChI=1S/C17H14N6O2/c1-24-15-7-11-13(8-16(15)25-2)19-10-20-17(11)23-21-9-14(22-23)12-5-3-4-6-18-12/h3-10H,1-2H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145004
PNG
(CHEMBL3763903)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3cccnc3)c2cc1OC
Show InChI InChI=1S/C17H15N7O2/c1-25-13-6-11-12(7-14(13)26-2)20-9-21-16(11)24-17(18)22-15(23-24)10-4-3-5-19-8-10/h3-9H,1-2H3,(H2,18,22,23)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145008
PNG
(CHEMBL3763403)
Show SMILES COc1ccc2ncnc(-n3nc(nc3N)-c3ccccn3)c2c1
Show InChI InChI=1S/C16H13N7O/c1-24-10-5-6-12-11(8-10)15(20-9-19-12)23-16(17)21-14(22-23)13-4-2-3-7-18-13/h2-9H,1H3,(H2,17,21,22)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144980
PNG
(CHEMBL3765799)
Show SMILES COc1cc2ncnc(-n3nc(cc3N)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C19H17N5O2/c1-25-16-8-13-15(9-17(16)26-2)21-11-22-19(13)24-18(20)10-14(23-24)12-6-4-3-5-7-12/h3-11H,20H2,1-2H3
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n/an/a 2.06E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144953
PNG
(CHEMBL3765248)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)Oc1ccccc1
Show InChI InChI=1S/C26H24N8O4/c1-36-21-15-20-18(14-22(21)37-13-7-12-29-26(35)38-17-8-3-2-4-9-17)24(31-16-30-20)34-25(27)32-23(33-34)19-10-5-6-11-28-19/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,29,35)(H2,27,32,33)
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n/an/a 2.35E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144954
PNG
(CHEMBL3763843)
Show SMILES CCCCCCOC(=O)NCCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
Show InChI InChI=1S/C26H32N8O4/c1-3-4-5-8-13-38-26(35)29-12-9-14-37-22-15-18-20(16-21(22)36-2)30-17-31-24(18)34-25(27)32-23(33-34)19-10-6-7-11-28-19/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3,(H,29,35)(H2,27,32,33)
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n/an/a 2.86E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145030
PNG
(CHEMBL3764171)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1[N+]([O-])=O
Show InChI InChI=1S/C16H12N8O3/c1-27-13-7-11-9(6-12(13)24(25)26)15(20-8-19-11)23-16(17)21-14(22-23)10-4-2-3-5-18-10/h2-8H,1H3,(H2,17,21,22)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50144999
PNG
(CHEMBL3763872)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)C3CCCCC3)c2cc1OC
Show InChI InChI=1S/C18H22N6O2/c1-25-14-8-12-13(9-15(14)26-2)20-10-21-17(12)24-18(19)22-16(23-24)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,19,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145000
PNG
(CHEMBL3763904)
Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C18H15ClN6O2/c1-26-14-7-12-13(8-15(14)27-2)21-9-22-17(12)25-18(20)23-16(24-25)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H2,20,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145001
PNG
(CHEMBL3763579)
Show SMILES COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C19H18N6O3/c1-26-12-6-4-11(5-7-12)17-23-19(20)25(24-17)18-13-8-15(27-2)16(28-3)9-14(13)21-10-22-18/h4-10H,1-3H3,(H2,20,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145005
PNG
(CHEMBL3765342)
Show SMILES Nc1nc(nn1-c1ncnc2cc3OCCOc3cc12)-c1ccccn1
Show InChI InChI=1S/C17H13N7O2/c18-17-22-15(11-3-1-2-4-19-11)23-24(17)16-10-7-13-14(26-6-5-25-13)8-12(10)20-9-21-16/h1-4,7-9H,5-6H2,(H2,18,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145006
PNG
(CHEMBL3765296)
Show SMILES Nc1nc(nn1-c1ncnc2cc(F)c(F)cc12)-c1ccccn1
Show InChI InChI=1S/C15H9F2N7/c16-9-5-8-12(6-10(9)17)20-7-21-14(8)24-15(18)22-13(23-24)11-3-1-2-4-19-11/h1-7H,(H2,18,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145007
PNG
(CHEMBL3764689)
Show SMILES Nc1nc(nn1-c1ncnc2cc(OC(F)(F)F)ccc12)-c1ccccn1
Show InChI InChI=1S/C16H10F3N7O/c17-16(18,19)27-9-4-5-10-12(7-9)22-8-23-14(10)26-15(20)24-13(25-26)11-3-1-2-6-21-11/h1-8H,(H2,20,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50145009
PNG
(CHEMBL3763586)
Show SMILES Nc1nc(nn1-c1ncnc2cc(N3CCNCC3)c(cc12)[N+]([O-])=O)-c1ccccn1
Show InChI InChI=1S/C19H18N10O2/c20-19-25-17(13-3-1-2-4-22-13)26-28(19)18-12-9-16(29(30)31)15(10-14(12)23-11-24-18)27-7-5-21-6-8-27/h1-4,9-11,21H,5-8H2,(H2,20,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Duke University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay


J Med Chem 59: 559-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01092
BindingDB Entry DOI: 10.7270/Q2TM7D0W
More data for this
Ligand-Target Pair
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