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Compile Data Set for Download or QSAR

Found 495 hits of ph data with Target = 'Serine/threonine-protein kinase ATR'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267969
PNG
(4-[(2-(morpholin-4-yl)-8-[2H-pyrazol-3-yl]-[1,7]na...)
Show SMILES CCOC(=O)N=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C30H34N6O5S/c1-3-40-30(37)34-42(2,38)22-9-7-21(8-10-22)24-20-26(35-15-18-39-19-16-35)33-28-23(24)11-13-31-29(28)25-12-14-32-36(25)27-6-4-5-17-41-27/h7-14,20,27H,3-6,15-19H2,1-2H3
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n/an/a 36.8n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267969
PNG
(4-[(2-(morpholin-4-yl)-8-[2H-pyrazol-3-yl]-[1,7]na...)
Show SMILES CCOC(=O)N=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C30H34N6O5S/c1-3-40-30(37)34-42(2,38)22-9-7-21(8-10-22)24-20-26(35-15-18-39-19-16-35)33-28-23(24)11-13-31-29(28)25-12-14-32-36(25)27-6-4-5-17-41-27/h7-14,20,27H,3-6,15-19H2,1-2H3
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n/an/a 23.9n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267970
PNG
(4-[(2-(Morpholin-4-yl)-8-(2H-pyrazol-3-yl)-[1,7]na...)
Show SMILES CS(=N)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
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n/an/a 95.2n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267970
PNG
(4-[(2-(Morpholin-4-yl)-8-(2H-pyrazol-3-yl)-[1,7]na...)
Show SMILES CS(=N)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
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n/an/a 38.3n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267971
PNG
(4-[6-(methylsulfonyl)pyridin-3-yl]-2-(morpholin-4-...)
Show SMILES CS(=O)(=O)c1ccc(cn1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C26H28N6O4S/c1-37(33,34)23-6-5-18(17-28-23)20-16-22(31-11-14-35-15-12-31)30-25-19(20)7-9-27-26(25)21-8-10-29-32(21)24-4-2-3-13-36-24/h5-10,16-17,24H,2-4,11-15H2,1H3
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n/an/a 56.9n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267971
PNG
(4-[6-(methylsulfonyl)pyridin-3-yl]-2-(morpholin-4-...)
Show SMILES CS(=O)(=O)c1ccc(cn1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C26H28N6O4S/c1-37(33,34)23-6-5-18(17-28-23)20-16-22(31-11-14-35-15-12-31)30-25-19(20)7-9-27-26(25)21-8-10-29-32(21)24-4-2-3-13-36-24/h5-10,16-17,24H,2-4,11-15H2,1H3
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n/an/a 38.7n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267972
PNG
(4-(3,6-dihydro-2H-pyran-4-yl)-2-(morpholin-4-yl)-8...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCOCC1 |t:32|
Show InChI InChI=1S/C25H29N5O3/c1-2-12-33-23(3-1)30-21(5-9-27-30)25-24-19(4-8-26-25)20(18-6-13-31-14-7-18)17-22(28-24)29-10-15-32-16-11-29/h4-6,8-9,17,23H,1-3,7,10-16H2
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n/an/a 61.7n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267972
PNG
(4-(3,6-dihydro-2H-pyran-4-yl)-2-(morpholin-4-yl)-8...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCOCC1 |t:32|
Show InChI InChI=1S/C25H29N5O3/c1-2-12-33-23(3-1)30-21(5-9-27-30)25-24-19(4-8-26-25)20(18-6-13-31-14-7-18)17-22(28-24)29-10-15-32-16-11-29/h4-6,8-9,17,23H,1-3,7,10-16H2
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n/an/a 43.5n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267973
PNG
(4-[4-(N,S-dimethylsulfonimidoyl)phenyl]-2-[morphol...)
Show SMILES CN=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H32N6O3S/c1-29-38(2,35)21-8-6-20(7-9-21)23-19-25(33-14-17-36-18-15-33)32-27-22(23)10-12-30-28(27)24-11-13-31-34(24)26-5-3-4-16-37-26/h6-13,19,26H,3-5,14-18H2,1-2H3
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n/an/a 64.3n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267973
PNG
(4-[4-(N,S-dimethylsulfonimidoyl)phenyl]-2-[morphol...)
Show SMILES CN=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H32N6O3S/c1-29-38(2,35)21-8-6-20(7-9-21)23-19-25(33-14-17-36-18-15-33)32-27-22(23)10-12-30-28(27)24-11-13-31-34(24)26-5-3-4-16-37-26/h6-13,19,26H,3-5,14-18H2,1-2H3
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n/an/a 34.1n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267974
PNG
(4-[4-methyl-6-(methylsulfonyl)pyridin-3-yl]-2-(mor...)
Show SMILES Cc1cc(ncc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C27H30N6O4S/c1-18-15-24(38(2,34)35)29-17-21(18)20-16-23(32-10-13-36-14-11-32)31-26-19(20)6-8-28-27(26)22-7-9-30-33(22)25-5-3-4-12-37-25/h6-9,15-17,25H,3-5,10-14H2,1-2H3
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n/an/a 68.6n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267975
PNG
(4-(4-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)20-7-5-19(6-8-20)22-18-24(31-13-16-35-17-14-31)30-26-21(22)9-11-28-27(26)23-10-12-29-32(23)25-4-2-3-15-36-25/h5-12,18,25H,2-4,13-17H2,1H3
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n/an/a 58.7n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267975
PNG
(4-(4-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)20-7-5-19(6-8-20)22-18-24(31-13-16-35-17-14-31)30-26-21(22)9-11-28-27(26)23-10-12-29-32(23)25-4-2-3-15-36-25/h5-12,18,25H,2-4,13-17H2,1H3
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n/an/a 26.5n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267976
PNG
(4-(2-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)23-7-3-2-6-19(23)21-18-24(31-13-16-35-17-14-31)30-26-20(21)9-11-28-27(26)22-10-12-29-32(22)25-8-4-5-15-36-25/h2-3,6-7,9-12,18,25H,4-5,8,13-17H2,1H3
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n/an/a 118n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267976
PNG
(4-(2-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)23-7-3-2-6-19(23)21-18-24(31-13-16-35-17-14-31)30-26-20(21)9-11-28-27(26)22-10-12-29-32(22)25-8-4-5-15-36-25/h2-3,6-7,9-12,18,25H,4-5,8,13-17H2,1H3
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n/an/a 69.2n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267977
PNG
(Dimethyl {4-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl...)
Show SMILES COP(=O)(OC)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H32N5O5P/c1-35-39(34,36-2)21-8-6-20(7-9-21)23-19-25(32-14-17-37-18-15-32)31-27-22(23)10-12-29-28(27)24-11-13-30-33(24)26-5-3-4-16-38-26/h6-13,19,26H,3-5,14-18H2,1-2H3
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n/an/a 120n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267977
PNG
(Dimethyl {4-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl...)
Show SMILES COP(=O)(OC)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H32N5O5P/c1-35-39(34,36-2)21-8-6-20(7-9-21)23-19-25(32-14-17-37-18-15-32)31-27-22(23)10-12-29-28(27)24-11-13-30-33(24)26-5-3-4-16-38-26/h6-13,19,26H,3-5,14-18H2,1-2H3
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n/an/a 127n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267978
PNG
(4-isopropenyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-y...)
Show SMILES CC(=C)c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O2/c1-16(2)18-15-20(27-10-13-29-14-11-27)26-22-17(18)6-8-24-23(22)19-7-9-25-28(19)21-5-3-4-12-30-21/h6-9,15,21H,1,3-5,10-14H2,2H3
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n/an/a 126n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267978
PNG
(4-isopropenyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-y...)
Show SMILES CC(=C)c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O2/c1-16(2)18-15-20(27-10-13-29-14-11-27)26-22-17(18)6-8-24-23(22)19-7-9-25-28(19)21-5-3-4-12-30-21/h6-9,15,21H,1,3-5,10-14H2,2H3
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n/an/a 43.9n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267979
PNG
(2-(morpholin-4-yl)-4-phenyl-8-(1H-pyrazol-3-yl)-[1...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c1-2-6-19(7-3-1)21-18-23(30-13-16-32-17-14-30)29-25-20(21)9-11-27-26(25)22-10-12-28-31(22)24-8-4-5-15-33-24/h1-3,6-7,9-12,18,24H,4-5,8,13-17H2
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n/an/a 135n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267979
PNG
(2-(morpholin-4-yl)-4-phenyl-8-(1H-pyrazol-3-yl)-[1...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c1-2-6-19(7-3-1)21-18-23(30-13-16-32-17-14-30)29-25-20(21)9-11-27-26(25)22-10-12-28-31(22)24-8-4-5-15-33-24/h1-3,6-7,9-12,18,24H,4-5,8,13-17H2
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n/an/a 86.8n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267980
PNG
(4-[4-(S-ethylsulfonimidoyl)phenyl]-2-(morpholin-4-...)
Show SMILES CCSc1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H31N5O2S/c1-2-36-21-8-6-20(7-9-21)23-19-25(32-14-17-34-18-15-32)31-27-22(23)10-12-29-28(27)24-11-13-30-33(24)26-5-3-4-16-35-26/h6-13,19,26H,2-5,14-18H2,1H3
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n/an/a 135n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267980
PNG
(4-[4-(S-ethylsulfonimidoyl)phenyl]-2-(morpholin-4-...)
Show SMILES CCSc1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C28H31N5O2S/c1-2-36-21-8-6-20(7-9-21)23-19-25(32-14-17-34-18-15-32)31-27-22(23)10-12-29-28(27)24-11-13-30-33(24)26-5-3-4-16-35-26/h6-13,19,26H,2-5,14-18H2,1H3
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n/an/a 47.2n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267981
PNG
(3-[(2-(morpholin-4-yl)-8-[2H-pyrazol-3-yl]-[1,7]na...)
Show SMILES CCOC(=O)N=S(C)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C30H34N6O5S/c1-3-40-30(37)34-42(2,38)22-8-6-7-21(19-22)24-20-26(35-14-17-39-18-15-35)33-28-23(24)10-12-31-29(28)25-11-13-32-36(25)27-9-4-5-16-41-27/h6-8,10-13,19-20,27H,3-5,9,14-18H2,1-2H3
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n/an/a 141n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267981
PNG
(3-[(2-(morpholin-4-yl)-8-[2H-pyrazol-3-yl]-[1,7]na...)
Show SMILES CCOC(=O)N=S(C)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C30H34N6O5S/c1-3-40-30(37)34-42(2,38)22-8-6-7-21(19-22)24-20-26(35-14-17-39-18-15-35)33-28-23(24)10-12-31-29(28)25-11-13-32-36(25)27-9-4-5-16-41-27/h6-8,10-13,19-20,27H,3-5,9,14-18H2,1-2H3
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n/an/a 104n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267982
PNG
(4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(mor...)
Show SMILES CN1CCC(=CC1)c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1 |c:4|
Show InChI InChI=1S/C26H32N6O2/c1-30-11-7-19(8-12-30)21-18-23(31-13-16-33-17-14-31)29-25-20(21)5-9-27-26(25)22-6-10-28-32(22)24-4-2-3-15-34-24/h5-7,9-10,18,24H,2-4,8,11-17H2,1H3
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n/an/a 162n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267982
PNG
(4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(mor...)
Show SMILES CN1CCC(=CC1)c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1 |c:4|
Show InChI InChI=1S/C26H32N6O2/c1-30-11-7-19(8-12-30)21-18-23(31-13-16-33-17-14-31)29-25-20(21)5-9-27-26(25)22-6-10-28-32(22)24-4-2-3-15-34-24/h5-7,9-10,18,24H,2-4,8,11-17H2,1H3
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n/an/a 79.9n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267983
PNG
(4-(3-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)20-6-4-5-19(17-20)22-18-24(31-12-15-35-16-13-31)30-26-21(22)8-10-28-27(26)23-9-11-29-32(23)25-7-2-3-14-36-25/h4-6,8-11,17-18,25H,2-3,7,12-16H2,1H3
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n/an/a 163n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267983
PNG
(4-(3-methanesulphonylphenyl)-2-(morpholin-4-yl)-8-...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H29N5O4S/c1-37(33,34)20-6-4-5-19(17-20)22-18-24(31-12-15-35-16-13-31)30-26-21(22)8-10-28-27(26)23-9-11-29-32(23)25-7-2-3-14-36-25/h4-6,8-11,17-18,25H,2-3,7,12-16H2,1H3
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n/an/a 174n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267984
PNG
(4-[5-methyl-6-(methylsulfonyl)pyridin-3-yl]-2-(mor...)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H30N6O4S/c1-18-15-19(17-29-27(18)38(2,34)35)21-16-23(32-10-13-36-14-11-32)31-25-20(21)6-8-28-26(25)22-7-9-30-33(22)24-5-3-4-12-37-24/h6-9,15-17,24H,3-5,10-14H2,1-2H3
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n/an/a 173n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267985
PNG
(2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-4-(1,2,3,6-...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCNCC1 |t:32|
Show InChI InChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
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n/an/a 185n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267985
PNG
(2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-4-(1,2,3,6-...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCNCC1 |t:32|
Show InChI InChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
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n/an/a 117n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267986
PNG
(4-cyclopropyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-y...)
Show SMILES C1CC1c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O2/c1-2-12-30-21(3-1)28-19(7-9-25-28)23-22-17(6-8-24-23)18(16-4-5-16)15-20(26-22)27-10-13-29-14-11-27/h6-9,15-16,21H,1-5,10-14H2
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n/an/a 228n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267986
PNG
(4-cyclopropyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-y...)
Show SMILES C1CC1c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O2/c1-2-12-30-21(3-1)28-19(7-9-25-28)23-22-17(6-8-24-23)18(16-4-5-16)15-20(26-22)27-10-13-29-14-11-27/h6-9,15-16,21H,1-5,10-14H2
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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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267987
PNG
(3-[(2-(morpholin-4-yl)-8-(2H-pyrazol-3-yl)-[1,7]na...)
Show SMILES CS(=N)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
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n/an/a 293n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267987
PNG
(3-[(2-(morpholin-4-yl)-8-(2H-pyrazol-3-yl)-[1,7]na...)
Show SMILES CS(=N)(=O)c1cccc(c1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
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n/an/a 181n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267988
PNG
(4-methyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-yl)-[1...)
Show SMILES Cc1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O2/c1-15-14-18(25-9-12-27-13-10-25)24-20-16(15)5-7-22-21(20)17-6-8-23-26(17)19-4-2-3-11-28-19/h5-8,14,19H,2-4,9-13H2,1H3
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n/an/a 816n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267988
PNG
(4-methyl-2-(morpholin-4-yl)-8-(1H-pyrazol-3-yl)-[1...)
Show SMILES Cc1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O2/c1-15-14-18(25-9-12-27-13-10-25)24-20-16(15)5-7-22-21(20)17-6-8-23-26(17)19-4-2-3-11-28-19/h5-8,14,19H,2-4,9-13H2,1H3
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n/an/a 320n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267989
PNG
(4-[2-(methylsulfonyl)-1,3-thiazol-4-yl]-2-(morphol...)
Show SMILES CS(=O)(=O)c1nc(cs1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C24H26N6O4S2/c1-36(31,32)24-27-18(15-35-24)17-14-20(29-9-12-33-13-10-29)28-22-16(17)5-7-25-23(22)19-6-8-26-30(19)21-4-2-3-11-34-21/h5-8,14-15,21H,2-4,9-13H2,1H3
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n/an/a 190n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267990
PNG
(4-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naph...)
Show SMILES COc1cc(ccn1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
Show InChI InChI=1S/C21H20N6O2/c1-28-19-12-14(2-5-22-19)16-13-18(27-8-10-29-11-9-27)25-20-15(16)3-6-23-21(20)17-4-7-24-26-17/h2-7,12-13H,8-11H2,1H3,(H,24,26)
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n/an/a 465n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267991
PNG
(5-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naph...)
Show SMILES COc1ccc(cn1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1
Show InChI InChI=1S/C21H20N6O2/c1-28-19-3-2-14(13-23-19)16-12-18(27-8-10-29-11-9-27)25-20-15(16)4-6-22-21(20)17-5-7-24-26-17/h2-7,12-13H,8-11H2,1H3,(H,24,26)
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n/an/a 443n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267992
PNG
(4-[2-fluoro-4-(methylsulfonyl)phenyl]-2-(morpholin...)
Show SMILES CSc1ccc(c(F)c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H28FN5O2S/c1-36-18-5-6-19(22(28)16-18)21-17-24(32-11-14-34-15-12-32)31-26-20(21)7-9-29-27(26)23-8-10-30-33(23)25-4-2-3-13-35-25/h5-10,16-17,25H,2-4,11-15H2,1H3
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n/an/a 38.2n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267992
PNG
(4-[2-fluoro-4-(methylsulfonyl)phenyl]-2-(morpholin...)
Show SMILES CSc1ccc(c(F)c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C27H28FN5O2S/c1-36-18-5-6-19(22(28)16-18)21-17-24(32-11-14-34-15-12-32)31-26-20(21)7-9-29-27(26)23-8-10-30-33(23)25-4-2-3-13-35-25/h5-10,16-17,25H,2-4,11-15H2,1H3
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n/an/a 20.7n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267993
PNG
(2-(morpholin-4-yl)-4-{4-[S-(propan-2-yl)sulfonimid...)
Show SMILES CC(C)Sc1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C29H33N5O2S/c1-20(2)37-22-8-6-21(7-9-22)24-19-26(33-14-17-35-18-15-33)32-28-23(24)10-12-30-29(28)25-11-13-31-34(25)27-5-3-4-16-36-27/h6-13,19-20,27H,3-5,14-18H2,1-2H3
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267993
PNG
(2-(morpholin-4-yl)-4-{4-[S-(propan-2-yl)sulfonimid...)
Show SMILES CC(C)Sc1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOCC1
Show InChI InChI=1S/C29H33N5O2S/c1-20(2)37-22-8-6-21(7-9-22)24-19-26(33-14-17-35-18-15-33)32-28-23(24)10-12-30-29(28)25-11-13-31-34(25)27-5-3-4-16-36-27/h6-13,19-20,27H,3-5,14-18H2,1-2H3
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n/an/a 75.1n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
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 |r|
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 15.6n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267995
PNG
(2-((R)-3-methylmorpholin-4-yl)-4-phenyl-8-(2H-pyra...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H29N5O2/c1-19-18-33-16-14-31(19)24-17-22(20-7-3-2-4-8-20)21-10-12-28-27(26(21)30-24)23-11-13-29-32(23)25-9-5-6-15-34-25/h2-4,7-8,10-13,17,19,25H,5-6,9,14-16,18H2,1H3/t19-,25?/m1/s1
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n/an/a 17.2n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267995
PNG
(2-((R)-3-methylmorpholin-4-yl)-4-phenyl-8-(2H-pyra...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H29N5O2/c1-19-18-33-16-14-31(19)24-17-22(20-7-3-2-4-8-20)21-10-12-28-27(26(21)30-24)23-11-13-29-32(23)25-9-5-6-15-34-25/h2-4,7-8,10-13,17,19,25H,5-6,9,14-16,18H2,1H3/t19-,25?/m1/s1
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n/an/a 10.9n/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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267996
PNG
(4-(3-methanesulphonylphenyl)-2-((R)-3-methylmorpho...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(c2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-15-13-32(19)25-17-23(20-6-5-7-21(16-20)38(2,34)35)22-9-11-29-28(27(22)31-25)24-10-12-30-33(24)26-8-3-4-14-37-26/h5-7,9-12,16-17,19,26H,3-4,8,13-15,18H2,1-2H3/t19-,26?/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
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