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Patent code US10457677

Compile Data Set for Download or QSAR

Found 471 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418454
PNG
(1-(3,5-Difluoropyridin-4-yl)- 7-methoxy-3-methyl-8...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C21H16F2N6O2/c1-27-10-11(6-26-27)12-4-13-16(5-18(12)31-3)25-9-17-19(13)29(21(30)28(17)2)20-14(22)7-24-8-15(20)23/h4-10H,1-3H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418458
PNG
(1-(3,5-Difluoropyridin-4-yl)- 8-(1-ethyl-1H-pyrazo...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4F)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C22H18F2N6O2/c1-4-29-11-12(7-27-29)13-5-14-17(6-19(13)32-3)26-10-18-20(14)30(22(31)28(18)2)21-15(23)8-25-9-16(21)24/h5-11H,4H2,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418552
PNG
(1-(3-Difluoromethoxy-5- fluoropyridin-4-yl)-8-(1,3...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OC(F)F)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C23H19F3N6O3/c1-11-14(10-30(2)29-11)12-5-13-16(6-18(12)34-4)28-8-17-20(13)32(23(33)31(17)3)21-15(24)7-27-9-19(21)35-22(25)26/h5-10,22H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418567
PNG
(1-(3-Cyclopropyl-5-fluoro- pyridin-4-yl)-7-methoxy...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4C4CC4)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C24H21FN6O2/c1-29-12-14(8-28-29)15-6-16-19(7-21(15)33-3)27-11-20-23(16)31(24(32)30(20)2)22-17(13-4-5-13)9-26-10-18(22)25/h6-13H,4-5H2,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418442
PNG
(US10457677, Example 10 | US10745399, Example 10)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C22H23N7O2/c1-12-16(10-26(3)24-12)14-7-15-17(8-20(14)31-6)23-9-18-21(15)29(22(30)28(18)5)19-11-27(4)25-13(19)2/h7-11H,1-6H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418443
PNG
(US10457677, Example 11 | US10745399, Example 11)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C22H18F2N6O2/c1-11-15(10-28(2)27-11)13-6-14-17(7-19(13)32-4)25-9-18-20(14)30(22(31)29(18)3)21-16(24)5-12(23)8-26-21/h5-10H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418446
PNG
(US10457677, Example 14 | US10745399, Example 14)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C21H17FN6O2/c1-26-11-12(9-25-26)13-7-14-16(8-18(13)30-3)24-10-17-19(14)28(21(29)27(17)2)20-15(22)5-4-6-23-20/h4-11H,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418450
PNG
(1-(3-Fluoro-5-methylpyridin- 4-yl)-7-methoxy-3-met...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN6O2/c1-12-7-24-9-16(23)20(12)29-21-15-5-14(13-8-26-27(2)11-13)19(31-4)6-17(15)25-10-18(21)28(3)22(29)30/h5-11H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418465
PNG
(8-(1-Ethyl-1H-pyrazol-4-yl)- 1-(3-fluoropyridin-4-...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4ccncc4F)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C22H19FN6O2/c1-4-28-12-13(9-26-28)14-7-15-17(8-20(14)31-3)25-11-19-21(15)29(22(30)27(19)2)18-5-6-24-10-16(18)23/h5-12H,4H2,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418440
PNG
(US10457677, Example 8 | US10745399, Example 8)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C21H17FN6O2/c1-11-6-23-9-15(22)19(11)28-20-14-4-13(12-7-25-26-8-12)18(30-3)5-16(14)24-10-17(20)27(2)21(28)29/h4-10H,1-3H3,(H,25,26)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418448
PNG
(8-(1,3-Dimethyl-1H-pyrazol- 4-yl)-1-(3-fluoropyrid...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C22H19FN6O2/c1-12-15(11-27(2)26-12)13-8-14-17(9-19(13)31-4)25-10-18-20(14)29(22(30)28(18)3)21-16(23)6-5-7-24-21/h5-11H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418501
PNG
(8-(3-Amino-1H-pyrazol-5- yl)-1-(3-fluoro-2-pyridyl...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cc(N)n[nH]1
Show InChI InChI=1S/C20H16FN7O2/c1-27-15-9-24-13-7-16(30-2)10(14-8-17(22)26-25-14)6-11(13)18(15)28(20(27)29)19-12(21)4-3-5-23-19/h3-9H,1-2H3,(H3,22,25,26)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418527
PNG
(1-(3-Fluoro-5-methoxy- pyridin-2-yl)-7-methoxy-3- ...)
Show SMILES COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2c[nH]nc2C)n(C)c1=O
Show InChI InChI=1S/C22H19FN6O3/c1-11-15(9-26-27-11)13-6-14-17(7-19(13)32-4)24-10-18-20(14)29(22(30)28(18)2)21-16(23)5-12(31-3)8-25-21/h5-10H,1-4H3,(H,26,27)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418535
PNG
(1-(1-Ethyl-3-methyl-1H- pyrazol-4-yl)-7-methoxy-3-...)
Show SMILES CCn1cc(c(C)n1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C22H23N7O2/c1-6-28-12-19(13(2)25-28)29-21-16-7-15(14-9-24-26(3)11-14)20(31-5)8-17(16)23-10-18(21)27(4)22(29)30/h7-12H,6H2,1-5H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418544
PNG
(6-[8-(1,3-Dimethyl-1H- pyrazol-4-yl)-7-methoxy-3- ...)
Show SMILES CNC(=O)c1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O
Show InChI InChI=1S/C24H22FN7O3/c1-12-16(11-30(3)29-12)14-7-15-18(8-20(14)35-5)27-10-19-21(15)32(24(34)31(19)4)22-17(25)6-13(9-28-22)23(33)26-2/h6-11H,1-5H3,(H,26,33)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418549
PNG
(1-(3-Fluoro-5-methoxy- pyridin-2-yl)-7-methoxy-3- ...)
Show SMILES COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2ccc3nc(C)[nH]c3c2)n(C)c1=O
Show InChI InChI=1S/C26H21FN6O3/c1-13-30-19-6-5-14(7-21(19)31-13)16-9-17-20(10-23(16)36-4)28-12-22-24(17)33(26(34)32(22)2)25-18(27)8-15(35-3)11-29-25/h5-12H,1-4H3,(H,30,31)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418559
PNG
(1-(1,3-Dimethyl-1H-pyrazol- 4-yl)-7-methoxy-3-meth...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnc2nc(C)[nH]c2c1
Show InChI InChI=1S/C24H22N8O2/c1-12-20(11-30(3)29-12)32-22-16-7-15(14-6-18-23(26-9-14)28-13(2)27-18)21(34-5)8-17(16)25-10-19(22)31(4)24(32)33/h6-11H,1-5H3,(H,26,27,28)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418570
PNG
(1-[5-(Azetidin-3-yloxy)-3- fluoropyridin-2-yl]-7- ...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(OC5CNC5)cc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C24H22FN7O3/c1-30-12-13(7-29-30)16-5-17-19(6-21(16)34-3)27-11-20-22(17)32(24(33)31(20)2)23-18(25)4-14(10-28-23)35-15-8-26-9-15/h4-7,10-12,15,26H,8-9H2,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418470
PNG
(1-(5-Fluoropyrimidin-2-yl)-7- methoxy-3-methyl-8-(...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cn4)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C20H16FN7O2/c1-26-10-11(6-25-26)13-4-14-15(5-17(13)30-3)22-9-16-18(14)28(20(29)27(16)2)19-23-7-12(21)8-24-19/h4-10H,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418439
PNG
(US10457677, Example 7 | US10745399, Example 7)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C20H15FN6O2/c1-26-16-10-23-15-7-17(29-2)12(11-8-24-25-9-11)6-13(15)18(16)27(20(26)28)19-14(21)4-3-5-22-19/h3-10H,1-2H3,(H,24,25)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418442
PNG
(US10457677, Example 10 | US10745399, Example 10)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C22H23N7O2/c1-12-16(10-26(3)24-12)14-7-15-17(8-20(14)31-6)23-9-18-21(15)29(22(30)28(18)5)19-11-27(4)25-13(19)2/h7-11H,1-6H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418445
PNG
(US10457677, Example 13 | US10745399, Example 13)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C23H21FN6O3/c1-5-29-12-13(8-27-29)14-6-15-17(7-19(14)32-3)26-10-18-21(15)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-4/h6-12H,5H2,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418449
PNG
(7-Methoxy-3-methyl-1-(1- methyl-1H-pyrazol-4-yl)-8...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O2/c1-24-10-12(8-23-24)26-18-14-4-13(11-6-21-22-7-11)17(28-3)5-15(14)20-9-16(18)25(2)19(26)27/h4-10H,1-3H3,(H,21,22)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418457
PNG
(1-(3-Ethyl-5-fluoropyridin-4- yl)-8-(1-ethyl-1H-py...)
Show SMILES CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O
Show InChI InChI=1S/C24H23FN6O2/c1-5-14-9-26-11-18(25)22(14)31-23-17-7-16(15-10-28-30(6-2)13-15)21(33-4)8-19(17)27-12-20(23)29(3)24(31)32/h7-13H,5-6H2,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418472
PNG
(8-(1-Ethyl-1H-pyrazol-4-yl)- 1-(3-fluoro-5-methylp...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4c(C)cncc4F)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C23H21FN6O2/c1-5-29-12-14(9-27-29)15-6-16-18(7-20(15)32-4)26-11-19-22(16)30(23(31)28(19)3)21-13(2)8-25-10-17(21)24/h6-12H,5H2,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418513
PNG
(1-(3,5-Difluoropyridin-2-yl)- 8-(1,3-dimethyl-1H-p...)
Show SMILES COc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C21H16F2N6O2/c1-10-14(9-28(2)27-10)12-5-13-16(6-18(12)31-3)24-8-17-19(13)29(21(30)26-17)20-15(23)4-11(22)7-25-20/h4-9H,1-3H3,(H,26,30)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418515
PNG
(1-(3-Fluoro-5-fluoro- methoxypyridin-2-yl)-7- meth...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCF)cc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C22H18F2N6O3/c1-28-10-12(7-27-28)14-5-15-17(6-19(14)32-3)25-9-18-20(15)30(22(31)29(18)2)21-16(24)4-13(8-26-21)33-11-23/h4-10H,11H2,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418540
PNG
(8-(1,3-Dimethyl-1H-pyrazol- 4-yl)-1-(1-ethyl-3-met...)
Show SMILES CCn1cc(c(C)n1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O
Show InChI InChI=1S/C23H25N7O2/c1-7-29-12-20(14(3)26-29)30-22-16-8-15(17-11-27(4)25-13(17)2)21(32-6)9-18(16)24-10-19(22)28(5)23(30)31/h8-12H,7H2,1-6H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418548
PNG
(8-(1-Difluoromethyl-1H- pyrazol-4-yl)-1-(3-fluoro-...)
Show SMILES COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(c2)C(F)F)n(C)c1=O
Show InChI InChI=1S/C22H17F3N6O3/c1-29-16-8-27-15-5-17(33-2)12(11-6-28-30(10-11)21(24)25)4-13(15)19(16)31(22(29)32)20-14(23)7-26-9-18(20)34-3/h4-10,21H,1-3H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418447
PNG
(1-(3-Fluoro-5- methoxypyridin-4-yl)-7- methoxy-3-m...)
Show SMILES COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C22H19FN6O3/c1-27-11-12(7-26-27)13-5-14-16(6-18(13)31-3)25-9-17-20(14)29(22(30)28(17)2)21-15(23)8-24-10-19(21)32-4/h5-11H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418477
PNG
(7-Methoxy-3-methyl-1-(3- methyl-1H-pyrazol-4-yl)-8...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c[nH]nc4C)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C20H19N7O2/c1-11-16(9-22-24-11)27-19-14-5-13(12-7-23-25(2)10-12)18(29-4)6-15(14)21-8-17(19)26(3)20(27)28/h5-10H,1-4H3,(H,22,24)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418441
PNG
(US10457677, Example 9 | US10745399, Example 9)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C20H15FN6O2/c1-26-17-10-23-15-6-18(29-2)12(11-7-24-25-8-11)5-13(15)19(17)27(20(26)28)16-3-4-22-9-14(16)21/h3-10H,1-2H3,(H,24,25)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418444
PNG
(US10457677, Example 12 | US10745399, Example 12)
Show SMILES CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C23H21FN6O2/c1-5-13-8-25-10-17(24)21(13)30-22-16-6-15(14-9-27-28(2)12-14)20(32-4)7-18(16)26-11-19(22)29(3)23(30)31/h6-12H,5H2,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418452
PNG
(1-(3-Fluoro-5-methylpyridin- 2-yl)-7-methoxy-3-met...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C21H17FN6O2/c1-11-4-15(22)20(24-7-11)28-19-14-5-13(12-8-25-26-9-12)18(30-3)6-16(14)23-10-17(19)27(2)21(28)29/h4-10H,1-3H3,(H,25,26)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418453
PNG
(1-(1,3-Dimethyl-1H-pyrazol- 4-yl)-8-(1-ethyl-1H-py...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4cn(C)nc4C)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C22H23N7O2/c1-6-28-11-14(9-24-28)15-7-16-17(8-20(15)31-5)23-10-18-21(16)29(22(30)27(18)4)19-12-26(3)25-13(19)2/h7-12H,6H2,1-5H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418505
PNG
(7-Methoxy-3-methyl-8-(1- methyl-1H-pyrazol-4-yl)-1...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccc5cc[nH]c5n4)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C23H19N7O2/c1-28-12-14(10-26-28)15-8-16-17(9-19(15)32-3)25-11-18-21(16)30(23(31)29(18)2)20-5-4-13-6-7-24-22(13)27-20/h4-12H,1-3H3,(H,24,27)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418510
PNG
(1-(3-Fluoro-5-methoxy- pyridin-2-yl)-7-methoxy-3- ...)
Show SMILES COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C22H19FN6O3/c1-27-11-12(8-26-27)14-6-15-17(7-19(14)32-4)24-10-18-20(15)29(22(30)28(18)2)21-16(23)5-13(31-3)9-25-21/h5-11H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418539
PNG
(1-(3-Fluoro-5-methoxy- pyridin-4-yl)-7-methoxy-3- ...)
Show SMILES COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn[nH]2)n(C)c1=O
Show InChI InChI=1S/C20H16FN7O3/c1-27-15-8-23-13-5-16(30-2)10(14-7-24-26-25-14)4-11(13)18(15)28(20(27)29)19-12(21)6-22-9-17(19)31-3/h4-9H,1-3H3,(H,24,25,26)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418550
PNG
(1-[3-Fluoro-5-(trideuterio- methoxy)-4-pyridyl]-7-...)
Show SMILES COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C22H19FN6O3/c1-27-11-12(7-26-27)13-5-14-16(6-18(13)31-3)25-9-17-20(14)29(22(30)28(17)2)21-15(23)8-24-10-19(21)32-4/h5-11H,1-4H3
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418439
PNG
(US10457677, Example 7 | US10745399, Example 7)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C20H15FN6O2/c1-26-16-10-23-15-7-17(29-2)12(11-8-24-25-9-11)6-13(15)18(16)27(20(26)28)19-14(21)4-3-5-22-19/h3-10H,1-2H3,(H,24,25)
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Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418441
PNG
(US10457677, Example 9 | US10745399, Example 9)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn[nH]c1
Show InChI InChI=1S/C20H15FN6O2/c1-26-17-10-23-15-6-18(29-2)12(11-7-24-25-8-11)5-13(15)19(17)27(20(26)28)16-3-4-22-9-14(16)21/h3-10H,1-2H3,(H,24,25)
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418453
PNG
(1-(1,3-Dimethyl-1H-pyrazol- 4-yl)-8-(1-ethyl-1H-py...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4cn(C)nc4C)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C22H23N7O2/c1-6-28-11-14(9-24-28)15-7-16-17(8-20(15)31-5)23-10-18-21(16)29(22(30)27(18)4)19-12-26(3)25-13(19)2/h7-12H,6H2,1-5H3
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418454
PNG
(1-(3,5-Difluoropyridin-4-yl)- 7-methoxy-3-methyl-8...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C21H16F2N6O2/c1-27-10-11(6-26-27)12-4-13-16(5-18(12)31-3)25-9-17-19(13)29(21(30)28(17)2)20-14(22)7-24-8-15(20)23/h4-10H,1-3H3
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418456
PNG
(8-(1-Ethyl-1H-pyrazol-4-yl)- 1-(3-fluoropyridin-2-...)
Show SMILES CCn1cc(cn1)-c1cc2c3n(-c4ncccc4F)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C22H19FN6O2/c1-4-28-12-13(10-26-28)14-8-15-17(9-19(14)31-3)25-11-18-20(15)29(22(30)27(18)2)21-16(23)6-5-7-24-21/h5-12H,4H2,1-3H3
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418459
PNG
(1-(3-Fluoro-5-methylpyridin- 2-yl)-7-methoxy-3-met...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN6O2/c1-12-5-16(23)21(25-8-12)29-20-15-6-14(13-9-26-27(2)11-13)19(31-4)7-17(15)24-10-18(20)28(3)22(29)30/h5-11H,1-4H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418446
PNG
(US10457677, Example 14 | US10745399, Example 14)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C21H17FN6O2/c1-26-11-12(9-25-26)13-7-14-16(8-18(13)30-3)24-10-17-19(14)28(21(29)27(17)2)20-15(22)5-4-6-23-20/h4-11H,1-3H3
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418459
PNG
(1-(3-Fluoro-5-methylpyridin- 2-yl)-7-methoxy-3-met...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN6O2/c1-12-5-16(23)21(25-8-12)29-20-15-6-14(13-9-26-27(2)11-13)19(31-4)7-17(15)24-10-18(20)28(3)22(29)30/h5-11H,1-4H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418545
PNG
(1-(3-Fluoro-5-methoxy- pyridin-4-yl)-8-(1-fluoro- ...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OC)c3c2cc1-c1cnn(CF)c1
Show InChI InChI=1S/C22H18F2N6O3/c1-28-17-8-26-16-5-18(32-2)13(12-6-27-29(10-12)11-23)4-14(16)20(17)30(22(28)31)21-15(24)7-25-9-19(21)33-3/h4-10H,11H2,1-3H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418547
PNG
(8-(1-Ethyl-3-methyl-1H- pyrazol-4-yl)-1-(3-fluoro-...)
Show SMILES CCn1cc(c(C)n1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC
Show InChI InChI=1S/C24H23FN6O3/c1-6-30-12-16(13(2)28-30)14-7-15-18(8-20(14)33-4)27-10-19-22(15)31(24(32)29(19)3)23-17(25)9-26-11-21(23)34-5/h7-12H,6H2,1-5H3
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Merck Patent GmbH

US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM418554
PNG
(8-(1,3-Dimethyl-1H-pyrazol- 4-yl)-1-(3-fluoro-5-fl...)
Show SMILES COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OCF)c3c2cc1-c1cn(C)nc1C
Show InChI InChI=1S/C23H20F2N6O3/c1-12-15(10-29(2)28-12)13-5-14-17(6-19(13)33-4)27-8-18-21(14)31(23(32)30(18)3)22-16(25)7-26-9-20(22)34-11-24/h5-10H,11H2,1-4H3
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US Patent


Assay Description
The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detecti...


US Patent US10457677 (2019)


BindingDB Entry DOI: 10.7270/Q2XS5XRV
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%