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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' AND taxid = 9606   
Target
(Institution)
LigandTarget
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/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM97372
PNG
(US20130089624, 1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H]1COCCN1
Show InChI InChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1
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0.503 -53.1 200n/an/an/an/a7.525



Vertex Pharmaceuticals

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay.


US Patent US20130089624 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM132734
PNG
(US8846917, I-1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C21H20N6O2S/c1-14(2)30(28,29)17-10-8-15(9-11-17)18-12-23-21(22)20(24-18)19-13-27(26-25-19)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...


US Patent US8846917 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50437436
PNG
(CHEMBL2409216 | US8841450, I-1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C1CC(=NO1)c1ccccc1
Show InChI InChI=1S/C22H22N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-11,13-14,20H,12H2,1-2H3,(H2,23,24)
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16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...


US Patent US8841450 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50437437
PNG
(CHEMBL2409217 | US8841450, I-2)
Show SMILES CNCc1ccc(cc1)C1=NOC(C1)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C24H27N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-11,14-15,22,26H,12-13H2,1-3H3,(H2,25,27)
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90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...


US Patent US8841450 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103469
PNG
(US8552004, 2.07 | US8552004, 2.08)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)S(N)(=C)=O
Show InChI InChI=1S/C20H25N7O2S/c1-13-12-29-10-9-26(13)17-11-16(20(7-8-20)30(2,22)28)24-19(25-17)27-15-6-4-3-5-14(15)23-18(27)21/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,23)(H2,22,28)/t13-,30?/m1/s1
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n/an/a 2.58n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103469
PNG
(US8552004, 2.07 | US8552004, 2.08)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)S(N)(=C)=O
Show InChI InChI=1S/C20H25N7O2S/c1-13-12-29-10-9-26(13)17-11-16(20(7-8-20)30(2,22)28)24-19(25-17)27-15-6-4-3-5-14(15)23-18(27)21/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,23)(H2,22,28)/t13-,30?/m1/s1
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n/an/a 2.76n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM60432
PNG
(US8552004, 2.02)
Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O
Show InChI InChI=1/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/s2
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n/an/a 3.75n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103467
PNG
(US8552004, 2.03)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1
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n/an/a 5.61n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103467
PNG
(US8552004, 2.03)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1
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n/an/a 7.05n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103472
PNG
(US8552004, 3.01 | US8552004, 3.02)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H29N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(2,3)31(5,22)29)25-20(26-18)28-16-9-7-6-8-15(16)24-19(28)23-4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1
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n/an/a 8.43n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103490
PNG
(US8552004, 5.08 | US8552004, 5.09)
Show SMILES CNc1nc2cc(F)ccc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(6-7-21)32(3,23)30)26-20(27-18)29-16-5-4-14(22)10-15(16)25-19(29)24-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103472
PNG
(US8552004, 3.01 | US8552004, 3.02)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H29N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(2,3)31(5,22)29)25-20(26-18)28-16-9-7-6-8-15(16)24-19(28)23-4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1
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n/an/a 12.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103468
PNG
(US8552004, 2.05 | US8552004, 2.06)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(N)(=C)=O
Show InChI InChI=1S/C21H25N5O2S/c1-14-13-28-11-10-26(14)19-12-18(21(7-8-21)29(2,22)27)24-20(25-19)16-4-3-5-17-15(16)6-9-23-17/h3-6,9,12,14,23H,2,7-8,10-11,13H2,1H3,(H2,22,27)/t14-,29?/m1/s1
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n/an/a 12.9n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103471
PNG
(US8552004, 2.11)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(N)(=C)=O
Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,23H,2,4-5,7-8,12H2,1H3,(H2,21,27)/t13-,29?/m1/s1
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n/an/a 13.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103487
PNG
(US8552004, 5.04 | US8552004, 5.05)
Show SMILES CNc1nc2cc(F)ccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(2,3)32(5,23)30)26-20(27-18)29-16-7-6-14(22)10-15(16)25-19(29)24-4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 16.2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103490
PNG
(US8552004, 5.08 | US8552004, 5.09)
Show SMILES CNc1nc2cc(F)ccc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(6-7-21)32(3,23)30)26-20(27-18)29-16-5-4-14(22)10-15(16)25-19(29)24-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 18.0n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103487
PNG
(US8552004, 5.04 | US8552004, 5.05)
Show SMILES CNc1nc2cc(F)ccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(2,3)32(5,23)30)26-20(27-18)29-16-7-6-14(22)10-15(16)25-19(29)24-4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 18.3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM60433
PNG
(BDBM103466 | US8552004, 2.04)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O
Show InChI InChI=1/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29+/s2
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n/an/a 21.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103477
PNG
(US8552004, 5.07 | US8552004, 5.10)
Show SMILES CNc1nc2ccc(F)cc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(6-7-21)32(3,23)30)26-20(27-18)29-16-10-14(22)4-5-15(16)25-19(29)24-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 29.0n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103476
PNG
(US8552004, 5.03 | US8552004, 5.06)
Show SMILES CNc1nc2ccc(F)cc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(2,3)32(5,23)30)26-20(27-18)29-16-10-14(22)6-7-15(16)25-19(29)24-4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 33.1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103465
PNG
(US8552004, 1.01)
Show SMILES C[C@@H]1COCCN1c1cc(C=S(C)(N)=O)nc(n1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C18H22N6O2S/c1-12-10-26-8-7-24(12)16-9-13(11-27(2,19)25)22-18(23-16)15-4-6-21-17-14(15)3-5-20-17/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,19,25)(H,20,21)/t12-,27?/m1/s1
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n/an/a 34.0n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103473
PNG
(US8552004, 4.01 | US8552004, 4.02)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CCOCC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C23H31N7O3S/c1-16-15-33-13-10-29(16)20-14-19(23(34(3,24)31)8-11-32-12-9-23)27-22(28-20)30-18-7-5-4-6-17(18)26-21(30)25-2/h4-7,14,16H,3,8-13,15H2,1-2H3,(H2,24,31)(H,25,26)/t16-,34?/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103476
PNG
(US8552004, 5.03 | US8552004, 5.06)
Show SMILES CNc1nc2ccc(F)cc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(2,3)32(5,23)30)26-20(27-18)29-16-10-14(22)6-7-15(16)25-19(29)24-4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 44.4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103477
PNG
(US8552004, 5.07 | US8552004, 5.10)
Show SMILES CNc1nc2ccc(F)cc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-9-8-28(13)18-11-17(21(6-7-21)32(3,23)30)26-20(27-18)29-16-10-14(22)4-5-15(16)25-19(29)24-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H2,23,30)(H,24,25)/t13-,32?/m1/s1
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n/an/a 47.0n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103474
PNG
(US8552004, 4.03)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CCOCC1)S(N)(=C)=O
Show InChI InChI=1S/C23H29N5O3S/c1-16-15-31-13-10-28(16)21-14-20(23(32(2,24)29)7-11-30-12-8-23)26-22(27-21)18-4-3-5-19-17(18)6-9-25-19/h3-6,9,14,16,25H,2,7-8,10-13,15H2,1H3,(H2,24,29)/t16-,32?/m1/s1
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n/an/a 51.1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103473
PNG
(US8552004, 4.01 | US8552004, 4.02)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CCOCC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C23H31N7O3S/c1-16-15-33-13-10-29(16)20-14-19(23(34(3,24)31)8-11-32-12-9-23)27-22(28-20)30-18-7-5-4-6-17(18)26-21(30)25-2/h4-7,14,16H,3,8-13,15H2,1-2H3,(H2,24,31)(H,25,26)/t16-,34?/m1/s1
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n/an/a 53.6n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM60432
PNG
(US8552004, 2.02)
Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O
Show InChI InChI=1/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/s2
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n/an/a 58.3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103475
PNG
(US8552004, 5.01 | US8552004, 5.02)
Show SMILES CNc1nc2c(F)cccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-10-9-28(13)17-11-16(21(2,3)32(5,23)30)25-20(26-17)29-15-8-6-7-14(22)18(15)27-19(29)24-4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H2,23,30)(H,24,27)/t13-,32?/m1/s1
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n/an/a 62.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103475
PNG
(US8552004, 5.01 | US8552004, 5.02)
Show SMILES CNc1nc2c(F)cccc2n1-c1nc(cc(n1)C(C)(C)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H28FN7O2S/c1-13-12-31-10-9-28(13)17-11-16(21(2,3)32(5,23)30)25-20(26-17)29-15-8-6-7-14(22)18(15)27-19(29)24-4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H2,23,30)(H,24,27)/t13-,32?/m1/s1
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n/an/a 70.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103468
PNG
(US8552004, 2.05 | US8552004, 2.06)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(N)(=C)=O
Show InChI InChI=1S/C21H25N5O2S/c1-14-13-28-11-10-26(14)19-12-18(21(7-8-21)29(2,22)27)24-20(25-19)16-4-3-5-17-15(16)6-9-23-17/h3-6,9,12,14,23H,2,7-8,10-11,13H2,1H3,(H2,22,27)/t14-,29?/m1/s1
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n/an/a 75.8n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103470
PNG
(US8552004, 2.09 | US8552004, 2.10)
Show SMILES CNc1nc2c(F)cccc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-10-9-28(13)17-11-16(21(7-8-21)32(3,23)30)25-20(26-17)29-15-6-4-5-14(22)18(15)27-19(29)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,23,30)(H,24,27)/t13-,32?/m1/s1
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n/an/a 109n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103470
PNG
(US8552004, 2.09 | US8552004, 2.10)
Show SMILES CNc1nc2c(F)cccc2n1-c1nc(cc(n1)C1(CC1)S(N)(=C)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H26FN7O2S/c1-13-12-31-10-9-28(13)17-11-16(21(7-8-21)32(3,23)30)25-20(26-17)29-15-6-4-5-14(22)18(15)27-19(29)24-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H2,23,30)(H,24,27)/t13-,32?/m1/s1
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n/an/a 159n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM60432
PNG
(BDBM103466 | US8552004, 2.04)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O
Show InChI InChI=1/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29+/s2
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n/an/a 236n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103465
PNG
(US8552004, 1.01)
Show SMILES C[C@@H]1COCCN1c1cc(C=S(C)(N)=O)nc(n1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C18H22N6O2S/c1-12-10-26-8-7-24(12)16-9-13(11-27(2,19)25)22-18(23-16)15-4-6-21-17-14(15)3-5-20-17/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,19,25)(H,20,21)/t12-,27?/m1/s1
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n/an/a 581n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...


US Patent US8552004 (2013)

More data for this
Ligand-Target Pair