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Patent code US10479784

Compile Data Set for Download or QSAR

Found 603 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))
BDBM420796
PNG
(US10479784, Compound IA-296)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H23N7O3S/c1-24-12-14-4-6-16(7-5-14)21-27-28-22(32-21)19-20(23)25-13-18(26-19)15-8-10-17(11-9-15)33(30,31)29(2)3/h4-11,13,24H,12H2,1-3H3,(H2,23,25)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420799
PNG
(US10479784, Compound IA-300)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cn1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C22H23N7O3S/c1-13(2)33(30,31)16-8-9-17(25-11-16)18-12-26-20(23)19(27-18)22-29-28-21(32-22)15-6-4-14(5-7-15)10-24-3/h4-9,11-13,24H,10H2,1-3H3,(H2,23,26)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420803
PNG
(US10479784, Compound IA-304)
Show SMILES CNCc1ccc(cc1)C(=N)OC(=N)c1nc(cnc1N)-c1ccc(cc1)S(=O)NCCO
Show InChI InChI=1S/C22H25N7O3S/c1-26-12-14-2-4-16(5-3-14)21(24)32-22(25)19-20(23)27-13-18(29-19)15-6-8-17(9-7-15)33(31)28-10-11-30/h2-9,13,24-26,28,30H,10-12H2,1H3,(H2,23,27)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420824
PNG
(US10479784, Compound IA-326)
Show SMILES CCc1cc(ccc1S(=O)(=O)C(C)C)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C25H28N6O3S/c1-5-17-12-19(10-11-21(17)35(32,33)15(2)3)20-14-28-23(26)22(29-20)25-31-30-24(34-25)18-8-6-16(7-9-18)13-27-4/h6-12,14-15,27H,5,13H2,1-4H3,(H2,26,28)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420830
PNG
(US10479784, Compound IA-332)
Show SMILES CNCc1ccc(C(=N)OC(=N)c2nc(cnc2N)-c2ccc(cc2)S(=O)C(C)CCOC)c(F)c1
Show InChI InChI=1S/C25H29FN6O3S/c1-15(10-11-34-3)36(33)18-7-5-17(6-8-18)21-14-31-23(27)22(32-21)25(29)35-24(28)19-9-4-16(13-30-2)12-20(19)26/h4-9,12,14-15,28-30H,10-11,13H2,1-3H3,(H2,27,31)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420831
PNG
(US10479784, Compound IA-333)
Show SMILES C[C@H](CO)NCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(F)c1
Show InChI InChI=1S/C25H27FN6O4S/c1-14(2)37(34,35)18-7-5-17(6-8-18)21-12-29-23(27)22(30-21)25-32-31-24(36-25)19-9-4-16(10-20(19)26)11-28-15(3)13-33/h4-10,12,14-15,28,33H,11,13H2,1-3H3,(H2,27,29)/t15-/m1/s1
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420444
PNG
(US10479784, Compound I-114)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C18H14ClN5O2S/c1-27(25,26)12-5-2-10(3-6-12)15-9-21-17(20)16(22-15)18-23-13-7-4-11(19)8-14(13)24-18/h2-9H,1H3,(H2,20,21)(H,23,24)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420476
PNG
(US10479784, Compound I-145 | US10479784, Compound ...)
Show SMILES Nc1ncc(nc1-c1noc(n1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C17H12N6O/c18-15-14(21-13(10-20-15)12-7-4-8-19-9-12)16-22-17(24-23-16)11-5-2-1-3-6-11/h1-10H,(H2,18,20)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420493
PNG
(US10479784, Compound IA-9)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C24H23N7O2/c1-30-11-13-31(14-12-30)24(32)18-9-7-16(8-10-18)19-15-26-21(25)20(27-19)23-29-28-22(33-23)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,25,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420842
PNG
(US10479784, Compound IA-344)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)C2CCOCC2)c(F)c1
Show InChI InChI=1S/C25H25FN6O3S/c1-28-13-15-2-7-19(20(26)12-15)24-31-32-25(35-24)22-23(27)29-14-21(30-22)16-3-5-17(6-4-16)36(33)18-8-10-34-11-9-18/h2-7,12,14,18,28H,8-11,13H2,1H3,(H2,27,29)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420844
PNG
(US10479784, Compound IA-346)
Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCF)cc1
Show InChI InChI=1S/C24H27FN6O2S/c1-15(2)34(32)19-9-7-17(8-10-19)20-14-30-22(26)21(31-20)24(28)33-23(27)18-5-3-16(4-6-18)13-29-12-11-25/h3-10,14-15,27-29H,11-13H2,1-2H3,(H2,26,30)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420475
PNG
(5-(4-(methylsulfonyl)phenyl)-3-(5-phenyl-1,2,4-oxa...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O3S/c1-28(25,26)14-9-7-12(8-10-14)15-11-21-17(20)16(22-15)18-23-19(27-24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,21)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420850
PNG
(4-(5-amino-6-(3-phenylisoxazol-5-yl)pyrazin-2-yl)p...)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C25H24N6O2/c26-24-23(22-15-20(30-33-22)17-5-2-1-3-6-17)29-21(16-28-24)18-7-9-19(10-8-18)25(32)31-13-4-11-27-12-14-31/h1-3,5-10,15-16,27H,4,11-14H2,(H2,26,28)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420862
PNG
(3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]isoxazo...)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C2CCOC2)c(F)c1
Show InChI InChI=1S/C25H24FN5O4S/c1-28-12-15-2-7-19(20(26)10-15)21-11-23(35-31-21)24-25(27)29-13-22(30-24)16-3-5-17(6-4-16)36(32,33)18-8-9-34-14-18/h2-7,10-11,13,18,28H,8-9,12,14H2,1H3,(H2,27,29)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420883
PNG
(US10479784, Compound III-11)
Show SMILES COc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C24H25N7O2/c1-33-17-7-8-18-19(13-17)30-23(29-18)21-22(25)27-14-20(28-21)15-3-5-16(6-4-15)24(32)31-11-2-9-26-10-12-31/h3-8,13-14,26H,2,9-12H2,1H3,(H2,25,27)(H,29,30)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420526
PNG
(US10479784, Compound IA-39)
Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C(F)(F)F)C(=O)N1CCCNCC1
Show InChI InChI=1S/C25H22F3N7O2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420539
PNG
(US10479784, Compound IA-52)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420555
PNG
(US10479784, Compound IA-68)
Show SMILES Nc1ncc(nc1-c1nnc(s1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C24H23N7OS/c25-21-20(23-30-29-22(33-23)17-5-2-1-3-6-17)28-19(15-27-21)16-7-9-18(10-8-16)24(32)31-13-4-11-26-12-14-31/h1-3,5-10,15,26H,4,11-14H2,(H2,25,27)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420930
PNG
(US10479784, Compound V-23)
Show SMILES Nc1ncc(nc1C(=O)Nc1n[nH]c2ccccc12)-c1ccc(cc1)N1CCCNCC1
Show InChI InChI=1S/C23H24N8O/c24-21-20(23(32)28-22-17-4-1-2-5-18(17)29-30-22)27-19(14-26-21)15-6-8-16(9-7-15)31-12-3-10-25-11-13-31/h1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H2,28,29,30,32)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420931
PNG
(US10479784, Compound V-24)
Show SMILES Nc1ncc(nc1C(=O)Nc1nc2ccccc2[nH]1)-c1ccc(cc1)N1CCCNCC1
Show InChI InChI=1S/C23H24N8O/c24-21-20(22(32)30-23-28-17-4-1-2-5-18(17)29-23)27-19(14-26-21)15-6-8-16(9-7-15)31-12-3-10-25-11-13-31/h1-2,4-9,14,25H,3,10-13H2,(H2,24,26)(H2,28,29,30,32)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420581
PNG
(US10479784, Compound IA-88)
Show SMILES CNCc1ccc(cc1)C(=N)OC(=N)c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)CCO
Show InChI InChI=1S/C24H28N6O3S/c1-15(11-12-31)34(32)19-9-7-17(8-10-19)20-14-29-22(25)21(30-20)24(27)33-23(26)18-5-3-16(4-6-18)13-28-2/h3-10,14-15,26-28,31H,11-13H2,1-2H3,(H2,25,29)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420631
PNG
(US10479784, Compound IA-135)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccn1C
Show InChI InChI=1S/C20H19N7O2/c1-26(2)20(28)13-8-6-12(7-9-13)14-11-22-17(21)16(23-14)19-25-24-18(29-19)15-5-4-10-27(15)3/h4-11H,1-3H3,(H2,21,22)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420637
PNG
(US10479784, Compound IA-141)
Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccncc1
Show InChI InChI=1S/C15H10N6OS/c16-13-12(15-21-20-14(22-15)11-2-1-7-23-11)19-10(8-18-13)9-3-5-17-6-4-9/h1-8H,(H2,16,18)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420642
PNG
(US10479784, Compound IA-146)
Show SMILES CNCc1cccc(c1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)C
Show InChI InChI=1S/C23H24N6O2S/c1-14(2)32(30)18-9-7-16(8-10-18)19-13-26-21(24)20(27-19)23-29-28-22(31-23)17-6-4-5-15(11-17)12-25-3/h4-11,13-14,25H,12H2,1-3H3,(H2,24,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420645
PNG
(US10479784, Compound IA-149)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O3S/c1-2-29(26,27)15-10-8-13(9-11-15)16-12-22-18(21)17(23-16)20-25-24-19(28-20)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,21,22)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420614
PNG
(US10479784, Compound IA-119)
Show SMILES COCCNCc1ccc(cc1)C(=N)OC(=N)c1nc(cnc1N)-c1ccc(SC(C)C)cc1
Show InChI InChI=1S/C25H30N6O2S/c1-16(2)34-20-10-8-18(9-11-20)21-15-30-23(26)22(31-21)25(28)33-24(27)19-6-4-17(5-7-19)14-29-12-13-32-3/h4-11,15-16,27-29H,12-14H2,1-3H3,(H2,26,30)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420622
PNG
(4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazi...)
Show SMILES CN(C)C(=O)c1ccc(-c2cnc(N)c(n2)-c2nnc(o2)-c2ccccc2)c(c1)C(F)F
Show InChI InChI=1S/C22H18F2N6O2/c1-30(2)22(31)13-8-9-14(15(10-13)18(23)24)16-11-26-19(25)17(27-16)21-29-28-20(32-21)12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H2,25,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420636
PNG
(US10479784, Compound IA-140)
Show SMILES CNCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C21H22N6O3S2/c1-12(2)32(28,29)15-7-4-13(5-8-15)16-11-24-19(22)18(25-16)21-27-26-20(30-21)17-9-6-14(31-17)10-23-3/h4-9,11-12,23H,10H2,1-3H3,(H2,22,24)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420641
PNG
(US10479784, Compound IA-145)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc2CNCCc2c1
Show InChI InChI=1S/C24H24N6O3S/c1-14(2)34(31,32)19-7-5-15(6-8-19)20-13-27-22(25)21(28-20)24-30-29-23(33-24)17-3-4-18-12-26-10-9-16(18)11-17/h3-8,11,13-14,26H,9-10,12H2,1-2H3,(H2,25,27)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420675
PNG
(US10479784, Compound IA-179)
Show SMILES COc1ccsc1-c1nnc(o1)-c1nc(cnc1N)-c1ccccc1S(C)=O
Show InChI InChI=1S/C18H15N5O3S2/c1-25-12-7-8-27-15(12)18-23-22-17(26-18)14-16(19)20-9-11(21-14)10-5-3-4-6-13(10)28(2)24/h3-9H,1-2H3,(H2,19,20)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420689
PNG
(US10479784, Compound IA-193)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H19N5O4S/c1-12(2)31(28,29)16-9-5-13(6-10-16)17-11-23-19(22)18(24-17)21-26-25-20(30-21)14-3-7-15(27)8-4-14/h3-12,27H,1-2H3,(H2,22,23)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420743
PNG
(US10479784, Compound IA-243)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C24H26N6O3S/c1-15(2)34(31,32)19-11-9-17(10-12-19)20-13-26-22(25)21(27-20)24-29-28-23(33-24)18-7-5-16(6-8-18)14-30(3)4/h5-13,15H,14H2,1-4H3,(H2,25,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420438
PNG
(US10479784, Compound I-108)
Show SMILES COc1ccc(C)cc1NC(=O)c1nc(cnc1N)-c1cccnc1
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-15(25-2)13(8-11)23-18(24)16-17(19)21-10-14(22-16)12-4-3-7-20-9-12/h3-10H,1-2H3,(H2,19,21)(H,23,24)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420439
PNG
(2-(3-amino-6-(4-(methylsulfonyl)phenyl)pyrazin-2-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2cccc(O)c2[nH]1
Show InChI InChI=1S/C18H15N5O3S/c1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18/h2-9,24H,1H3,(H2,19,20)(H,22,23)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420797
PNG
(US10479784, Compound IA-297)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCC1
Show InChI InChI=1S/C23H23N7O3S/c1-25-13-15-3-5-17(6-4-15)22-28-29-23(33-22)20-21(24)26-14-19(27-20)16-7-9-18(10-8-16)34(31,32)30-11-2-12-30/h3-10,14,25H,2,11-13H2,1H3,(H2,24,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420802
PNG
(US10479784, Compound IA-303)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(nc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C22H23N7O3S/c1-13(2)33(30,31)18-9-8-16(11-25-18)17-12-26-20(23)19(27-17)22-29-28-21(32-22)15-6-4-14(5-7-15)10-24-3/h4-9,11-13,24H,10H2,1-3H3,(H2,23,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420807
PNG
(US10479784, Compound IA-308)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C1COC1
Show InChI InChI=1S/C23H22N6O4S/c1-25-10-14-2-4-16(5-3-14)22-28-29-23(33-22)20-21(24)26-11-19(27-20)15-6-8-17(9-7-15)34(30,31)18-12-32-13-18/h2-9,11,18,25H,10,12-13H2,1H3,(H2,24,26)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420811
PNG
(US10479784, Compound IA-312)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(c(C)c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C24H26N6O3S/c1-14(2)34(31,32)20-10-9-18(11-15(20)3)19-13-27-22(25)21(28-19)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4/h5-11,13-14,26H,12H2,1-4H3,(H2,25,27)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420812
PNG
(US10479784, Compound IA-313)
Show SMILES CCC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-4-15(2)33(31)19-11-9-17(10-12-19)20-14-27-22(25)21(28-20)24-30-29-23(32-24)18-7-5-16(6-8-18)13-26-3/h5-12,14-15,26H,4,13H2,1-3H3,(H2,25,27)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420827
PNG
(US10479784, Compound IA-329)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(c(Cl)c2)S(=O)(=O)C(C)C)c(F)c1
Show InChI InChI=1S/C23H22ClFN6O3S/c1-12(2)35(32,33)19-7-5-14(9-16(19)24)18-11-28-21(26)20(29-18)23-31-30-22(34-23)15-6-4-13(10-27-3)8-17(15)25/h4-9,11-12,27H,10H2,1-3H3,(H2,26,28)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420853
PNG
(US10479784, Compound IIA-6)
Show SMILES CCCNCc1ccc(cc1)C(=N)\C=C(/O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C26H31N5O3S/c1-4-13-29-15-18-5-7-19(8-6-18)22(27)14-24(32)25-26(28)30-16-23(31-25)20-9-11-21(12-10-20)35(33,34)17(2)3/h5-12,14,16-17,27,29,32H,4,13,15H2,1-3H3,(H2,28,30)/b24-14-,27-22?
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420858
PNG
(US10479784, Compound IIA-11)
Show SMILES CC(O)CNCc1ccc(cc1)C(=N)\C=C(/O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C26H31N5O4S/c1-16(2)36(34,35)21-10-8-20(9-11-21)23-15-30-26(28)25(31-23)24(33)12-22(27)19-6-4-18(5-7-19)14-29-13-17(3)32/h4-12,15-17,27,29,32-33H,13-14H2,1-3H3,(H2,28,30)/b24-12-,27-22?
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420879
PNG
(US10479784, Compound III-7)
Show SMILES Cc1cccc2nc([nH]c12)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C24H25N7O/c1-15-4-2-5-18-20(15)30-23(29-18)21-22(25)27-14-19(28-21)16-6-8-17(9-7-16)24(32)31-12-3-10-26-11-13-31/h2,4-9,14,26H,3,10-13H2,1H3,(H2,25,27)(H,29,30)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420880
PNG
(US10479784, Compound III-8)
Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H21N7O/c23-20-19(21-27-16-3-1-2-4-17(16)28-21)26-18(13-25-20)14-5-7-15(8-6-14)22(30)29-11-9-24-10-12-29/h1-8,13,24H,9-12H2,(H2,23,25)(H,27,28)
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420516
PNG
(US10479784, Compound IA-29)
Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCN(CC1)C=O
Show InChI InChI=1S/C25H23N7O3/c26-22-21(24-30-29-23(35-24)18-5-2-1-3-6-18)28-20(15-27-22)17-7-9-19(10-8-17)25(34)32-12-4-11-31(16-33)13-14-32/h1-3,5-10,15-16H,4,11-14H2,(H2,26,27)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420517
PNG
(US10479784, Compound IA-30)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C21H17FN6O2/c1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22/h3-11H,1-2H3,(H2,23,24)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420547
PNG
(US10479784, Compound IA-60)
Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C17H12N6O/c18-15-14(21-13(10-20-15)11-6-8-19-9-7-11)17-23-22-16(24-17)12-4-2-1-3-5-12/h1-10H,(H2,18,20)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420915
PNG
(US10479784, Compound V-8)
Show SMILES Nc1ncc(nc1C(=O)Nc1n[nH]c2ccccc12)-c1ccc(cc1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C24H24N8O2/c25-21-20(23(33)29-22-17-4-1-2-5-18(17)30-31-22)28-19(14-27-21)15-6-8-16(9-7-15)24(34)32-12-3-10-26-11-13-32/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420580
PNG
(US10479784, Compound IA-87)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H18N6O3/c1-27(2)21(29)14-5-3-12(4-6-14)16-11-23-18(22)17(24-16)20-26-25-19(30-20)13-7-9-15(28)10-8-13/h3-11,28H,1-2H3,(H2,22,23)
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<10n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

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


(Homo sapiens (Human))
BDBM420619
PNG
(US10479784, Compound IA-123)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(c1)[C@H](C)N
Show InChI InChI=1S/C23H24N6O3S/c1-13(2)33(30,31)18-9-7-15(8-10-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-5-16(11-17)14(3)24/h4-14H,24H2,1-3H3,(H2,25,26)/t14-/m0/s1
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VERTEX PHARMACEUTICALS INCORPORATED

US Patent


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


US Patent US10479784 (2019)

More data for this
Ligand-Target Pair
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