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Compile Data Set for Download or QSAR

Found 803 hits of ic50 data for polymerid = 5446   
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/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268180
PNG
(US9549932, 212)
Show SMILES C1CN(CCO1)c1cc(-c2cc[nH]c2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C19H16N6O/c1-4-20-12-13(1)15-11-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h1-6,11-12H,7-10H2/b15-13-,19-16-
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US Patent
n/an/a 0n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM50043407
PNG
(CHEMBL3355476)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12
Show InChI InChI=1S/C19H19FN6O/c1-11-9-27-6-5-26(11)19-17-15(25(2)10-23-17)7-13(24-19)16-12-3-4-21-14(12)8-22-18(16)20/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3/t11-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043409
PNG
(CHEMBL3355474)
Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O
Show InChI InChI=1S/C21H24N6O3S/c1-13-11-30-7-6-26(13)21-20-19(27(12-24-20)14(2)31(3,28)29)8-17(25-21)16-9-22-10-18-15(16)4-5-23-18/h4-5,8-10,12-14,23H,6-7,11H2,1-3H3/t13-,14-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043385
PNG
(CHEMBL3355072)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21N5O2S/c1-14-12-26-20(13-25(14)19-8-10-23-21-17(19)7-9-22-21)18(11-24-26)15-3-5-16(6-4-15)29(2,27)28/h3-11,14H,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043387
PNG
(CHEMBL3355074)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12
Show InChI InChI=1S/C20H25ClN6O2S/c1-13-11-27-18(12-26(13)17-9-19(21)24-20-15(17)3-6-22-20)16(10-23-27)14-4-7-25(8-5-14)30(2,28)29/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043408
PNG
(CHEMBL3355475)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12
Show InChI InChI=1S/C19H20N6O/c1-12-10-26-6-5-25(12)19-18-17(24(2)11-22-18)7-15(23-19)14-8-20-9-16-13(14)3-4-21-16/h3-4,7-9,11-12,21H,5-6,10H2,1-2H3/t12-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043382
PNG
(CHEMBL3355069)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23)
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043411
PNG
(CHEMBL3355480)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12
Show InChI InChI=1S/C18H19N7O/c1-11-9-26-6-5-25(11)18-17-15(24(2)10-20-17)7-13(22-18)16-12-3-4-19-14(12)8-21-23-16/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t11-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043384
PNG
(CHEMBL3355071)
Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H24N6O2S/c1-15-13-28-21(14-27(15)20-9-11-24-22-18(20)8-10-23-22)19(12-25-28)16-4-6-17(7-5-16)31(29,30)26(2)3/h4-12,15H,13-14H2,1-3H3,(H,23,24)/t15-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043383
PNG
(CHEMBL3355070)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043410
PNG
(CHEMBL3355473)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C21H23N5O3S/c1-14-11-29-9-8-26(14)21-20-19(25(12-23-20)13-30(2,27)28)10-18(24-21)15-4-3-5-17-16(15)6-7-22-17/h3-7,10,12,14,22H,8-9,11,13H2,1-2H3/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043386
PNG
(CHEMBL3355073)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H26N6O2S/c1-14-12-26-19(13-25(14)18-4-8-22-20-16(18)3-7-21-20)17(11-23-26)15-5-9-24(10-6-15)29(2,27)28/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50043389
PNG
(CHEMBL3352844)
Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]cnc12
Show InChI InChI=1S/C19H25N7O2S/c1-13-10-26-17(11-25(13)16-3-6-20-19-18(16)21-12-22-19)15(9-23-26)14-4-7-24(8-5-14)29(2,27)28/h3,6,9,12-14H,4-5,7-8,10-11H2,1-2H3,(H,20,21,22)/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay


ACS Med Chem Lett 6: 37-41 (2015)


Article DOI: 10.1021/ml500353p
BindingDB Entry DOI: 10.7270/Q228097V
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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US Patent
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)


BindingDB Entry DOI: 10.7270/Q20P0XN6
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)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427322
PNG
(CHEMBL2325703)
Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
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=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427320
PNG
(CHEMBL2325705)
Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268208
PNG
(US9549932, 241)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H25N5OS/c1-14-13-27-9-8-26(14)19-12-17(15-4-10-28-11-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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n/an/a 4.06n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268080
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-ox...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C25H28N6O3/c1-16-13-21(34-29-16)19-14-22(30-10-12-32-15-17(30)2)28-24-18(19)6-8-26-25(24)20-7-9-27-31(20)23-5-3-4-11-33-23/h6-9,13-14,17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1
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n/an/a 4.74n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268050
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-[4-(methylsulfon...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C26H35N7O4S/c1-19-18-36-16-14-32(19)23-17-22(30-10-12-31(13-11-30)38(2,34)35)20-6-8-27-26(25(20)29-23)21-7-9-28-33(21)24-5-3-4-15-37-24/h6-9,17,19,24H,3-5,10-16,18H2,1-2H3/t19-,24?/m1/s1
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US Patent
n/an/a 4.90n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM50043403
PNG
(CHEMBL3355472)
Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)13-25-12-22-19-18(25)11-17(23-20(19)24-7-9-28-10-8-24)14-3-2-4-16-15(14)5-6-21-16/h2-6,11-12,21H,7-10,13H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427314
PNG
(CHEMBL2325711)
Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268038
PNG
(4-(1-methyl-1H-imidazol-5-yl)-2-[(3R)-3-methylmorp...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C25H29N7O2/c1-17-15-33-12-10-31(17)22-13-19(21-14-26-16-30(21)2)18-6-8-27-25(24(18)29-22)20-7-9-28-32(20)23-5-3-4-11-34-23/h6-9,13-14,16-17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1
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US Patent
n/an/a 5.17n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268037
PNG
(4-(1-ethyl-1H-pyrazol-5-yl)-2-[(3R)-3-methylmorpho...)
Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C26H31N7O2/c1-3-32-21(8-11-28-32)20-16-23(31-13-15-34-17-18(31)2)30-25-19(20)7-10-27-26(25)22-9-12-29-33(22)24-6-4-5-14-35-24/h7-12,16,18,24H,3-6,13-15,17H2,1-2H3/t18-,24?/m1/s1
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n/an/a 5.34n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268051
PNG
(N-(2,2-dimethylpropyl)-N-methyl-2-[(3R)-3-methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H38N6O2/c1-19-17-34-15-13-32(19)23-16-22(31(5)18-27(2,3)4)20-9-11-28-26(25(20)30-23)21-10-12-29-33(21)24-8-6-7-14-35-24/h9-12,16,19,24H,6-8,13-15,17-18H2,1-5H3/t19-,24?/m1/s1
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n/an/a 5.38n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268039
PNG
(2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H30N6O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17,28H2,1H3/t18-,25?/m1/s1
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n/an/a 5.65n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268081
PNG
(4-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-2-[(3R)-3-met...)
Show SMILES CCn1nc(C)cc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C27H33N7O2/c1-4-33-23(15-18(2)31-33)21-16-24(32-12-14-35-17-19(32)3)30-26-20(21)8-10-28-27(26)22-9-11-29-34(22)25-7-5-6-13-36-25/h8-11,15-16,19,25H,4-7,12-14,17H2,1-3H3/t19-,25?/m1/s1
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n/an/a 5.71n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM50043413
PNG
(CHEMBL3355478)
Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cnc(N)nc1
Show InChI InChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ATR using ATP substrate measured after 3 hrs


ACS Med Chem Lett 6: 42-6 (2015)


Article DOI: 10.1021/ml500352s
BindingDB Entry DOI: 10.7270/Q2XG9SRM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341750
PNG
(3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylp...)
Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c1-21(2,3)29(27,28)16-11-9-14(10-12-16)17-13-23-19(22)18(25-17)20(26)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,22,23)(H,24,26)
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n/an/a 6n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268040
PNG
(4-(2,3-difluorophenyl)-2-[(3R)-3-methylmorpholin-4...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H27F2N5O2/c1-17-16-35-14-12-33(17)23-15-20(18-5-4-6-21(28)25(18)29)19-8-10-30-27(26(19)32-23)22-9-11-31-34(22)24-7-2-3-13-36-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3/t17-,24?/m1/s1
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n/an/a 6.33n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM267994
PNG
(4-(4-methanesulphonylphenyl)-2-((R)-3-methylmorpho...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-16-14-32(19)25-17-23(20-6-8-21(9-7-20)38(2,34)35)22-10-12-29-28(27(22)31-25)24-11-13-30-33(24)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1
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n/an/a 6.36n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268067
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-2-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2sccc2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H21N5OS/c1-13-5-10-28-21(13)16-11-18(26-8-9-27-12-14(26)2)24-19-15(16)3-6-22-20(19)17-4-7-23-25-17/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,23,25)/t14-/m1/s1
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n/an/a 6.38n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268219
PNG
(US9549932, 252)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1
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n/an/a 6.45n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268052
PNG
((1-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1
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n/an/a 6.60n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268217
PNG
(US9549932, 250)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H23N7O/c1-13-12-29-9-8-28(13)19-10-16(17-11-24-27(3)14(17)2)15-4-6-22-21(20(15)25-19)18-5-7-23-26-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,26)/t13-/m1/s1
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n/an/a 6.62n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268041
PNG
(4-[2-methyl-6-(methylsulfonyl)pyridin-3-yl]-2-[(3R...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C28H32N6O4S/c1-18-17-37-15-13-33(18)24-16-22(20-7-8-25(31-19(20)2)39(3,35)36)21-9-11-29-28(27(21)32-24)23-10-12-30-34(23)26-6-4-5-14-38-26/h7-12,16,18,26H,4-6,13-15,17H2,1-3H3/t18-,26?/m1/s1
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n/an/a 6.71n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268172
PNG
(US9549932, 204)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCS(=O)(=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H25N5O3S/c1-14-13-29-9-8-26(14)19-12-17(15-4-10-30(27,28)11-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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n/an/a 6.76n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268043
PNG
(4-fluoro-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(F)ccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H29FN6O2/c1-17-16-35-13-11-33(17)24-15-20(21-14-18(28)5-6-22(21)29)19-7-9-30-27(26(19)32-24)23-8-10-31-34(23)25-4-2-3-12-36-25/h5-10,14-15,17,25H,2-4,11-13,16,29H2,1H3/t17-,25?/m1/s1
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n/an/a 6.97n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM50427327
PNG
(CHEMBL2325699)
Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CC2CCC(C1)O2
Show InChI InChI=1S/C22H24N4O3S/c1-30(27,28)22(8-9-22)19-11-20(26-12-14-5-6-15(13-26)29-14)25-21(24-19)17-3-2-4-18-16(17)7-10-23-18/h2-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
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)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM268042
PNG
(4-[2-fluoro-4-(methylsulfonyl)phenyl]-2-[(3R)-3-me...)
Show SMILES CSc1ccc(c(F)c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C28H30FN5O2S/c1-18-17-35-14-12-33(18)25-16-22(20-7-6-19(37-2)15-23(20)29)21-8-10-30-28(27(21)32-25)24-9-11-31-34(24)26-5-3-4-13-36-26/h6-11,15-16,18,26H,3-5,12-14,17H2,1-2H3/t18-,26?/m1/s1
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n/an/a 7.10n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268079
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1
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n/an/a 7.24n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268082
PNG
(4-(1,4-dimethyl-1H-pyrazol-5-yl)-2-[(3R)-3-methylm...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)cnn2C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C26H31N7O2/c1-17-15-29-31(3)26(17)20-14-22(32-11-13-34-16-18(32)2)30-24-19(20)7-9-27-25(24)21-8-10-28-33(21)23-6-4-5-12-35-23/h7-10,14-15,18,23H,4-6,11-13,16H2,1-3H3/t18-,23?/m1/s1
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n/an/a 7.35n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268083
PNG
(4-[2-methyl-6-(methylsulfanyl)pyridin-3-yl]-2-[(3R...)
Show SMILES CSc1ccc(c(C)n1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C28H32N6O2S/c1-18-17-35-15-13-33(18)24-16-22(20-7-8-25(37-3)31-19(20)2)21-9-11-29-28(27(21)32-24)23-10-12-30-34(23)26-6-4-5-14-36-26/h7-12,16,18,26H,4-6,13-15,17H2,1-3H3/t18-,26?/m1/s1
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n/an/a 7.44n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM268225
PNG
(US9549932, 258)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C22H25N7O/c1-13-12-30-10-9-29(13)19-11-17(20-14(2)27-28(4)15(20)3)16-5-7-23-22(21(16)25-19)18-6-8-24-26-18/h5-8,11,13H,9-10,12H2,1-4H3,(H,24,26)/t13-/m1/s1
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n/an/a 7.66n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)

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


(Homo sapiens (Human))
BDBM50341747
PNG
(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)
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n/an/a 8n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50427305
PNG
(CHEMBL2325720)
Show SMILES Cc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1
Show InChI InChI=1S/C21H24N4O3S/c1-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)29(2,26)27)13-19(24-20)25-7-9-28-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...


J Med Chem 56: 2125-38 (2013)


Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C
More data for this
Ligand-Target Pair
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