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Patent code US9549932

Compile Data Set for Download or QSAR

Found 488 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/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


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))
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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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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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


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))
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


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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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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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))
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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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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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))
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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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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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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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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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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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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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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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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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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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))
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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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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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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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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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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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))
BDBM268057
PNG
(4-(2-fluoropyridin-3-yl)-2-[(3R)-3-methylmorpholin...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H19FN6O/c1-13-12-29-10-9-28(13)18-11-16(15-3-2-6-24-21(15)22)14-4-7-23-20(19(14)26-18)17-5-8-25-27-17/h2-8,11,13H,9-10,12H2,1H3,(H,25,27)/t13-/m1/s1
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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))
BDBM268085
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-propyl-1H-pyr...)
Show SMILES CCCn1nccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C27H33N7O2/c1-3-13-33-22(8-11-29-33)21-17-24(32-14-16-35-18-19(32)2)31-26-20(21)7-10-28-27(26)23-9-12-30-34(23)25-6-4-5-15-36-25/h7-12,17,19,25H,3-6,13-16,18H2,1-2H3/t19-,25?/m1/s1
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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))
BDBM268233
PNG
(US9549932, 266)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C20H19N7O/c1-12-11-28-8-7-27(12)18-9-15(16-10-23-25-13(16)2)14-3-5-21-20(19(14)24-18)17-4-6-22-26-17/h3-6,9-10,12H,7-8,11H2,1-2H3/b16-15+,20-17-/t12-/m1/s1
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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))
BDBM267996
PNG
(4-(3-methanesulphonylphenyl)-2-((R)-3-methylmorpho...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(c2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
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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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))
BDBM268073
PNG
(4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3R)-3-methylm...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)noc2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)/t12-/m1/s1
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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))
BDBM268055
PNG
(N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpho...)
Show SMILES C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c1-19-18-36-16-14-34(19)25-17-24(33(2)21-8-6-20(29)7-9-21)22-10-12-30-28(27(22)32-25)23-11-13-31-35(23)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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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))
BDBM268044
PNG
(4-(1-benzyl-1H-imidazol-5-yl)-2-[(3R)-3-methylmorp...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2Cc2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C31H33N7O2/c1-22-20-39-16-14-37(22)28-17-25(27-18-32-21-36(27)19-23-7-3-2-4-8-23)24-10-12-33-31(30(24)35-28)26-11-13-34-38(26)29-9-5-6-15-40-29/h2-4,7-8,10-13,17-18,21-22,29H,5-6,9,14-16,19-20H2,1H3/t22-,29?/m1/s1
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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))
BDBM268045
PNG
(4-(2-fluorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H28FN5O2/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,4-5,8,13-15,17H2,1H3/t18-,25?/m1/s1
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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))
BDBM268077
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylpiperid...)
Show SMILES CC1CCN(CC1)c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C
Show InChI InChI=1S/C22H28N6O/c1-15-5-9-27(10-6-15)19-13-20(28-11-12-29-14-16(28)2)25-21-17(19)3-7-23-22(21)18-4-8-24-26-18/h3-4,7-8,13,15-16H,5-6,9-12,14H2,1-2H3,(H,24,26)/t16-/m1/s1
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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))
BDBM267997
PNG
(4-cyclopropyl-2-((R)-3-methylmorpholin-4-yl)-8-(1H...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C24H29N5O2/c1-16-15-30-13-11-28(16)21-14-19(17-5-6-17)18-7-9-25-24(23(18)27-21)20-8-10-26-29(20)22-4-2-3-12-31-22/h7-10,14,16-17,22H,2-6,11-13,15H2,1H3/t16-,22?/m1/s1
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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))
BDBM267998
PNG
(4-[2-((R)-3-methylmorpholin-4-yl)-8-(2H-pyrazol-3-...)
Show SMILES CCOC(=O)N=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C
Show InChI InChI=1S/C31H36N6O5S/c1-4-41-31(38)35-43(3,39)23-10-8-22(9-11-23)25-19-27(36-16-18-40-20-21(36)2)34-29-24(25)12-14-32-30(29)26-13-15-33-37(26)28-7-5-6-17-42-28/h8-15,19,21,28H,4-7,16-18,20H2,1-3H3/t21-,28?,43?/m1/s1
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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))
BDBM268158
PNG
(5-fluoro-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(F)c2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H29FN6O2/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,2-3,7,12-14,16,29H2,1H3/t17-,24?/m1/s1
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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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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))
BDBM268059
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccn2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H22N6O/c1-14-13-28-11-10-27(14)19-12-16(18-4-3-9-26(18)2)15-5-7-22-21(20(15)24-19)17-6-8-23-25-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,25)/t14-/m1/s1
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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))
BDBM268086
PNG
(4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-[...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc3CCCn23)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H31N7O2/c1-18-17-35-14-12-32(18)24-15-20(22-16-29-23-5-4-11-33(22)23)19-7-9-28-27(26(19)31-24)21-8-10-30-34(21)25-6-2-3-13-36-25/h7-10,15-16,18,25H,2-6,11-14,17H2,1H3/t18-,25?/m1/s1
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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))
BDBM268071
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methyl-3-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccsc2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H21N5OS/c1-13-12-27-9-8-26(13)19-11-17(15-5-10-28-14(15)2)16-3-6-22-21(20(16)24-19)18-4-7-23-25-18/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,25)/t13-/m1/s1
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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))
BDBM268001
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfonyl)...)
Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccnn3C3CCCCO3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C22H27N5O4S/c1-15-14-30-12-10-26(15)19-13-18(32(2,28)29)16-6-8-23-22(21(16)25-19)17-7-9-24-27(17)20-5-3-4-11-31-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1
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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))
BDBM268058
PNG
(4-(2-fluoro-4-methylpyridin-3-yl)-2-[(3R)-3-methyl...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)ccnc2F)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C22H21FN6O/c1-13-3-6-25-22(23)19(13)16-11-18(29-9-10-30-12-14(29)2)27-20-15(16)4-7-24-21(20)17-5-8-26-28-17/h3-8,11,14H,9-10,12H2,1-2H3,(H,26,28)/t14-/m1/s1
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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))
BDBM268054
PNG
(4-(5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-[(...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCn3ccnc3C2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C27H32N8O2/c1-19-18-36-15-13-34(19)23-16-22(33-12-11-32-10-9-28-24(32)17-33)20-5-7-29-27(26(20)31-23)21-6-8-30-35(21)25-4-2-3-14-37-25/h5-10,16,19,25H,2-4,11-15,17-18H2,1H3/t19-,25?/m1/s1
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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))
BDBM267995
PNG
(2-((R)-3-methylmorpholin-4-yl)-4-phenyl-8-(2H-pyra...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
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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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))
BDBM268061
PNG
(4-(2-fluoro-6-methylpyridin-3-yl)-2-[(3R)-3-methyl...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(C)nc2F)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C22H21FN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-8,11,14H,9-10,12H2,1-2H3,(H,25,28)/t14-/m1/s1
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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))
BDBM268046
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methyl-1,3-th...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc(C)s2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
Show InChI InChI=1S/C25H28N6O2S/c1-16-15-32-12-10-30(16)22-13-19(21-14-27-17(2)34-21)18-6-8-26-25(24(18)29-22)20-7-9-28-31(20)23-5-3-4-11-33-23/h6-9,13-14,16,23H,3-5,10-12,15H2,1-2H3/t16-,23?/m1/s1
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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))
BDBM268069
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(4-methyl-3-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cscc2C)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H21N5OS/c1-13-11-28-12-17(13)16-9-19(26-7-8-27-10-14(26)2)24-20-15(16)3-5-22-21(20)18-4-6-23-25-18/h3-6,9,11-12,14H,7-8,10H2,1-2H3,(H,23,25)/t14-/m1/s1
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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))
BDBM268171
PNG
(US9549932, 203)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCS(=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H25N5O2S/c1-14-13-28-9-8-26(14)19-12-17(15-4-10-29(27)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-,15?,29?/m1/s1
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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))
BDBM268063
PNG
(4-(6-methoxypyridin-3-yl)-2-[(3R)-3-methylmorpholi...)
Show SMILES COc1ccc(cn1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C
Show InChI InChI=1S/C22H22N6O2/c1-14-13-30-10-9-28(14)19-11-17(15-3-4-20(29-2)24-12-15)16-5-7-23-22(21(16)26-19)18-6-8-25-27-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,27)/t14-/m1/s1
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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))
BDBM268076
PNG
(4-(3,6-dihydro-2H-thiopyran-4-yl)-2-[(3R)-3-methyl...)
Show SMILES C[C@@H]1COCCN1c1cc(C2=CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1
Show InChI InChI=1S/C21H23N5OS/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/h2-4,6-7,12,14H,5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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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))
BDBM268087
PNG
(4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-...)
Show SMILES CCn1nc(cc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C27H30F3N7O2/c1-3-36-21(15-22(34-36)27(28,29)30)19-14-23(35-11-13-38-16-17(35)2)33-25-18(19)7-9-31-26(25)20-8-10-32-37(20)24-6-4-5-12-39-24/h7-10,14-15,17,24H,3-6,11-13,16H2,1-2H3/t17-,24?/m1/s1
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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
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