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Patent code US9630956

Compile Data Set for Download or QSAR
Found 151 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))
BDBM323392
PNG
(US9630956, Compound I-129)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F
Show InChI InChI=1S/C25H27FN6O2/c1-4-17(5-2)32-14-16(7-9-23(32)33)21-13-29-25(27)24(30-21)22-11-20(31-34-22)18-8-6-15(12-28-3)10-19(18)26/h6-11,13-14,17,28H,4-5,12H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323393
PNG
(US9630956, Compound I-130)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@@H]2CCC(F)C2)cc1
Show InChI InChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323285
PNG
(US9630956, Compound I-22)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCC(C)C1
Show InChI InChI=1S/C26H28N6O2/c1-16-3-9-20(11-16)32-15-19(8-10-24(32)33)22-14-29-26(27)25(30-22)23-12-21(31-34-23)18-6-4-17(5-7-18)13-28-2/h4-8,10,12,14-16,20,28H,3,9,11,13H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323288
PNG
(US9630956, Compound I-25)
Show SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1OC
Show InChI InChI=1S/C24H27N7O3/c1-5-14(2)31-13-16(7-9-20(31)32)18-12-27-22(25)21(28-18)24-30-29-23(34-24)17-8-6-15(11-26-3)10-19(17)33-4/h6-10,12-14,26H,5,11H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323296
PNG
(US9630956, Compound I-33)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCC2)c(C)c1
Show InChI InChI=1S/C24H25N7O2/c1-14-10-15(11-26-2)6-8-18(14)23-29-30-24(33-23)21-22(25)27-12-19(28-21)16-7-9-20(32)31(13-16)17-4-3-5-17/h6-10,12-13,17,26H,3-5,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323306
PNG
(US9630956, Compound I-43)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C25H26N6O2/c1-27-13-16-6-8-17(9-7-16)20-12-22(33-30-20)24-25(26)28-14-21(29-24)18-10-11-23(32)31(15-18)19-4-2-3-5-19/h6-12,14-15,19,27H,2-5,13H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323396
PNG
(US9630956, Compound I-133)
Show SMILES CCC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(CC)CC
Show InChI InChI=1S/C26H30N6O2/c1-4-19(5-2)32-15-18(10-11-24(32)33)22-14-29-26(28)25(30-22)23-13-21(31-34-23)17-9-7-8-16(12-17)20(27)6-3/h7-15,19-20H,4-6,27H2,1-3H3,(H2,28,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323323
PNG
(US9630956, Compound I-60)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C25H28N6O2/c1-15(2)27-12-17-5-7-18(8-6-17)20-11-22(33-30-20)24-25(26)28-13-21(29-24)19-9-10-23(32)31(14-19)16(3)4/h5-11,13-16,27H,12H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323327
PNG
(US9630956, Compound I-64)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC)c1
Show InChI InChI=1S/C24H26N6O3/c1-14(2)30-13-16(6-8-22(30)31)19-12-27-24(25)23(28-19)21-10-18(29-33-21)17-7-5-15(11-26-3)9-20(17)32-4/h5-10,12-14,26H,11H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323329
PNG
(US9630956, Compound I-66)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCOCC1
Show InChI InChI=1S/C25H26N6O3/c1-27-13-16-2-4-17(5-3-16)20-12-22(34-30-20)24-25(26)28-14-21(29-24)18-6-7-23(32)31(15-18)19-8-10-33-11-9-19/h2-7,12,14-15,19,27H,8-11,13H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323357
PNG
(US9630956, Compound I-94)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)N
Show InChI InChI=1S/C25H28N6O2/c1-4-19(5-2)31-14-18(9-10-23(31)32)21-13-28-25(27)24(29-21)22-12-20(30-33-22)17-8-6-7-16(11-17)15(3)26/h6-15,19H,4-5,26H2,1-3H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323360
PNG
(US9630956, Compound I-97)
Show SMILES CC[C@H](C)Cn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C25H28N6O2/c1-4-16(2)14-31-15-19(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)18-7-5-17(6-8-18)12-27-3/h5-11,13,15-16,27H,4,12,14H2,1-3H3,(H2,26,28)/t16-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323385
PNG
(US9630956, Compound I-122)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC2CCCC2)c1
Show InChI InChI=1S/C27H30N6O2/c1-29-15-19-6-8-20(9-7-19)22-14-24(35-32-22)26-27(28)30-16-23(31-26)21-10-11-25(34)33(17-21)13-12-18-4-2-3-5-18/h6-11,14,16-18,29H,2-5,12-13,15H2,1H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323298
PNG
(US9630956, Compound I-35)
Show SMILES COc1cc(CNC(C)(C)C)ccc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C26H31N7O3/c1-15(2)33-14-17(8-10-21(33)34)19-13-28-23(27)22(30-19)25-32-31-24(36-25)18-9-7-16(11-20(18)35-6)12-29-26(3,4)5/h7-11,13-15,29H,12H2,1-6H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323326
PNG
(US9630956, Compound I-63)
Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C24H26N6O2/c1-4-26-12-16-5-7-17(8-6-16)19-11-21(32-29-19)23-24(25)27-13-20(28-23)18-9-10-22(31)30(14-18)15(2)3/h5-11,13-15,26H,4,12H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323331
PNG
(US9630956, Compound I-68)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)CC2)c1
Show InChI InChI=1S/C25H26N6O2/c1-25(9-10-25)15-31-14-18(7-8-22(31)32)20-13-28-24(26)23(29-20)21-11-19(30-33-21)17-5-3-16(4-6-17)12-27-2/h3-8,11,13-14,27H,9-10,12,15H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323333
PNG
(US9630956, Compound I-70)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCN2CCCC2=O)c1
Show InChI InChI=1S/C26H27N7O3/c1-28-14-17-4-6-18(7-5-17)20-13-22(36-31-20)25-26(27)29-15-21(30-25)19-8-9-24(35)33(16-19)12-11-32-10-2-3-23(32)34/h4-9,13,15-16,28H,2-3,10-12,14H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323345
PNG
(US9630956, Compound I-82)
Show SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C24H26N6O2/c1-4-15(2)30-14-18(9-10-22(30)31)20-13-27-24(25)23(28-20)21-11-19(29-32-21)17-7-5-16(6-8-17)12-26-3/h5-11,13-15,26H,4,12H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323349
PNG
(US9630956, Compound I-86)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CCCO2)c1
Show InChI InChI=1S/C25H26N6O3/c1-27-12-16-4-6-17(7-5-16)20-11-22(34-30-20)24-25(26)28-13-21(29-24)18-8-9-23(32)31(14-18)15-19-3-2-10-33-19/h4-9,11,13-14,19,27H,2-3,10,12,15H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323359
PNG
(US9630956, Compound I-96)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC2CC2)c1
Show InChI InChI=1S/C25H26N6O2/c1-27-13-17-4-6-18(7-5-17)20-12-22(33-30-20)24-25(26)28-14-21(29-24)19-8-9-23(32)31(15-19)11-10-16-2-3-16/h4-9,12,14-16,27H,2-3,10-11,13H2,1H3,(H2,26,28)
PDB

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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323363
PNG
(US9630956, Compound I-100)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C(C)C
Show InChI InChI=1S/C23H24N6O2/c1-13(2)17-8-16(11-27-23(17)30)19-12-26-22(24)21(28-19)20-9-18(29-31-20)15-6-4-14(5-7-15)10-25-3/h4-9,11-13,25H,10H2,1-3H3,(H2,24,26)(H,27,30)
PDB

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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323370
PNG
(US9630956, Compound I-107)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1CCCC1
Show InChI InChI=1S/C25H26N6O2/c1-27-12-15-6-8-17(9-7-15)20-11-22(33-31-20)23-24(26)28-14-21(30-23)18-10-19(25(32)29-13-18)16-4-2-3-5-16/h6-11,13-14,16,27H,2-5,12H2,1H3,(H2,26,28)(H,29,32)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323375
PNG
(US9630956, Compound I-112)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1c[nH]c(=O)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-7-14(10-27-22(16)30)18-11-26-21(24)20(28-18)19-8-17(29-31-19)13-3-1-12(2-4-13)9-25-15-5-6-15/h1-4,7-8,10-11,15,25H,5-6,9H2,(H2,24,26)(H,27,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323380
PNG
(US9630956, Compound I-117)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(CO)CO
Show InChI InChI=1S/C23H24N6O4/c1-25-9-14-2-4-15(5-3-14)18-8-20(33-28-18)22-23(24)26-10-19(27-22)16-6-7-21(32)29(11-16)17(12-30)13-31/h2-8,10-11,17,25,30-31H,9,12-13H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323381
PNG
(US9630956, Compound I-118)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC(C)C)c1
Show InChI InChI=1S/C26H30N6O3/c1-15(2)32-14-18(7-9-24(32)33)21-13-29-26(27)25(30-21)23-11-20(31-35-23)19-8-6-17(12-28-5)10-22(19)34-16(3)4/h6-11,13-16,28H,12H2,1-5H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323387
PNG
(US9630956, Compound I-124)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCC(C)C1
Show InChI InChI=1S/C26H28N6O2/c1-15-6-8-20(10-15)32-14-19(7-9-24(32)33)22-13-29-26(28)25(30-22)23-12-21(31-34-23)18-5-3-4-17(11-18)16(2)27/h3-5,7,9,11-16,20H,6,8,10,27H2,1-2H3,(H2,28,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323389
PNG
(US9630956, Compound I-126)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNCCF)cc1
Show InChI InChI=1S/C26H29FN6O2/c1-3-20(4-2)33-16-19(9-10-24(33)34)22-15-30-26(28)25(31-22)23-13-21(32-35-23)18-7-5-17(6-8-18)14-29-12-11-27/h5-10,13,15-16,20,29H,3-4,11-12,14H2,1-2H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323273
PNG
(US9630956, Compound I-11)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C23H24N6O2/c1-14(2)29-13-17(8-9-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-15(5-7-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323276
PNG
(US9630956, Compound I-14)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(C)c1
Show InChI InChI=1S/C25H27N7O2/c1-15-11-16(12-27-2)7-9-19(15)24-30-31-25(34-24)22-23(26)28-13-20(29-22)17-8-10-21(33)32(14-17)18-5-3-4-6-18/h7-11,13-14,18,27H,3-6,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323395
PNG
(US9630956, Compound I-132)
Show SMILES CCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F
Show InChI InChI=1S/C25H27FN6O2/c1-4-15(5-2)18-9-16(12-30-25(18)33)21-13-29-24(27)23(31-21)22-10-20(32-34-22)17-7-6-14(11-28-3)8-19(17)26/h6-10,12-13,15,28H,4-5,11H2,1-3H3,(H2,27,29)(H,30,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323319
PNG
(US9630956, Compound I-56)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(F)c1
Show InChI InChI=1S/C25H25FN6O2/c1-28-12-15-6-8-18(19(26)10-15)20-11-22(34-31-20)24-25(27)29-13-21(30-24)16-7-9-23(33)32(14-16)17-4-2-3-5-17/h6-11,13-14,17,28H,2-5,12H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323336
PNG
(US9630956, Compound I-73)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC#N)c1
Show InChI InChI=1S/C23H21N7O2/c1-26-12-15-3-5-16(6-4-15)18-11-20(32-29-18)22-23(25)27-13-19(28-22)17-7-8-21(31)30(14-17)10-2-9-24/h3-8,11,13-14,26H,2,10,12H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323348
PNG
(US9630956, Compound I-85)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccn2C)c1
Show InChI InChI=1S/C25H24N8O2/c1-27-12-16-3-5-17(6-4-16)19-11-21(35-31-19)24-25(26)29-13-20(30-24)18-7-8-23(34)33(14-18)15-22-28-9-10-32(22)2/h3-11,13-14,27H,12,15H2,1-2H3,(H2,26,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323353
PNG
(US9630956, Compound I-90)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClN6O2/c1-23-8-11-2-4-12(5-3-11)15-7-17(29-27-15)18-19(22)24-10-16(26-18)13-6-14(21)20(28)25-9-13/h2-7,9-10,23H,8H2,1H3,(H2,22,24)(H,25,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323394
PNG
(US9630956, Compound I-131)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(N)CF
Show InChI InChI=1S/C25H27FN6O2/c1-3-18(4-2)32-14-17(8-9-23(32)33)21-13-29-25(28)24(30-21)22-11-20(31-34-22)16-7-5-6-15(10-16)19(27)12-26/h5-11,13-14,18-19H,3-4,12,27H2,1-2H3,(H2,28,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323274
PNG
(US9630956, Compound I-12)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C23H25N7O2/c1-13(2)30-12-16(6-8-19(30)31)18-11-26-21(24)20(27-18)23-29-28-22(32-23)17-7-5-15(10-25-4)9-14(17)3/h5-9,11-13,25H,10H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323275
PNG
(US9630956, Compound I-13)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN[C@H]2CCOC2)cc1C
Show InChI InChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/m0/s1
PDB

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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323292
PNG
(US9630956, Compound I-29)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(F)c1
Show InChI InChI=1S/C23H23FN6O2/c1-13(2)30-12-15(5-7-21(30)31)19-11-27-23(25)22(28-19)20-9-18(29-32-20)16-6-4-14(10-26-3)8-17(16)24/h4-9,11-13,26H,10H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323313
PNG
(US9630956, Compound I-50)
Show SMILES CC(C)(C)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C28H32N6O2/c1-28(2,3)31-15-18-8-10-19(11-9-18)22-14-24(36-33-22)26-27(29)30-16-23(32-26)20-12-13-25(35)34(17-20)21-6-4-5-7-21/h8-14,16-17,21,31H,4-7,15H2,1-3H3,(H2,29,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323317
PNG
(US9630956, Compound I-54)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(F)c1
Show InChI InChI=1S/C25H25FN6O2/c1-14(16-4-5-16)32-13-17(6-8-23(32)33)21-12-29-25(27)24(30-21)22-10-20(31-34-22)18-7-3-15(11-28-2)9-19(18)26/h3,6-10,12-14,16,28H,4-5,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323324
PNG
(US9630956, Compound I-61)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C25H26N6O2/c1-15(2)31-14-18(7-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)17-5-3-16(4-6-17)12-27-19-8-9-19/h3-7,10-11,13-15,19,27H,8-9,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323332
PNG
(US9630956, Compound I-69)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2ccoc2)c1
Show InChI InChI=1S/C25H22N6O3/c1-27-11-16-2-4-18(5-3-16)20-10-22(34-30-20)24-25(26)28-12-21(29-24)19-6-7-23(32)31(14-19)13-17-8-9-33-15-17/h2-10,12,14-15,27H,11,13H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323350
PNG
(US9630956, Compound I-87)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CCCCO2)c1
Show InChI InChI=1S/C26H28N6O3/c1-28-13-17-5-7-18(8-6-17)21-12-23(35-31-21)25-26(27)29-14-22(30-25)19-9-10-24(33)32(15-19)16-20-4-2-3-11-34-20/h5-10,12,14-15,20,28H,2-4,11,13,16H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323361
PNG
(US9630956, Compound I-98)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC(N)=O)c1
Show InChI InChI=1S/C22H21N7O3/c1-25-9-13-2-4-14(5-3-13)16-8-18(32-28-16)21-22(24)26-10-17(27-21)15-6-7-20(31)29(11-15)12-19(23)30/h2-8,10-11,25H,9,12H2,1H3,(H2,23,30)(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323362
PNG
(US9630956, Compound I-99)
Show SMILES CC(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C25H23N7O2/c1-15(11-26)32-14-18(6-9-23(32)33)21-13-29-25(27)24(30-21)22-10-20(31-34-22)17-4-2-16(3-5-17)12-28-19-7-8-19/h2-6,9-10,13-15,19,28H,7-8,12H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323365
PNG
(US9630956, Compound I-102)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(=O)N1CCCC1
Show InChI InChI=1S/C27H29N7O3/c1-17(27(36)33-11-3-4-12-33)34-16-20(9-10-24(34)35)22-15-30-26(28)25(31-22)23-13-21(32-37-23)19-7-5-18(6-8-19)14-29-2/h5-10,13,15-17,29H,3-4,11-12,14H2,1-2H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323383
PNG
(US9630956, Compound I-120)
Show SMILES CCCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C28H32N6O2/c1-3-5-18(4-2)22-12-20(15-32-28(22)35)24-16-31-27(29)26(33-24)25-13-23(34-36-25)19-8-6-17(7-9-19)14-30-21-10-11-21/h6-9,12-13,15-16,18,21,30H,3-5,10-11,14H2,1-2H3,(H2,29,31)(H,32,35)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323386
PNG
(Synthesis of 3-[4-(methylaminomethyl)phenyl]isoxaz...)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C26H22N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h2-12,14-15,28H,13H2,1H3,(H2,27,29)(H,30,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323390
PNG
(US9630956, Compound I-127)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC(F)(F)C2)cc1
Show InChI InChI=1S/C28H30F2N6O2/c1-3-21(4-2)36-16-19(9-10-25(36)37)23-15-33-27(31)26(34-23)24-11-22(35-38-24)18-7-5-17(6-8-18)14-32-20-12-28(29,30)13-20/h5-11,15-16,20-21,32H,3-4,12-14H2,1-2H3,(H2,31,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323399
PNG
(US9630956, Compound I-136)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F
Show InChI InChI=1S/C28H28FN7O2/c1-3-28(4-2,16-30)36-15-18(6-10-25(36)37)23-14-33-27(31)26(34-23)24-12-22(35-38-24)20-9-5-17(11-21(20)29)13-32-19-7-8-19/h5-6,9-12,14-15,19,32H,3-4,7-8,13H2,1-2H3,(H2,31,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323404
PNG
(US9630956, Compound I-141)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(F)c(c1)C(C)N
Show InChI InChI=1S/C25H27FN6O2/c1-4-17(5-2)32-13-16(7-9-23(32)33)21-12-29-25(28)24(30-21)22-11-20(31-34-22)15-6-8-19(26)18(10-15)14(3)27/h6-14,17H,4-5,27H2,1-3H3,(H2,28,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323391
PNG
(US9630956, Compound I-128)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F
Show InChI InChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323268
PNG
(US9630956, Compound I-6)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC)c1
Show InChI InChI=1S/C23H25N7O3/c1-13(2)30-12-15(6-8-19(30)31)17-11-26-21(24)20(27-17)23-29-28-22(33-23)16-7-5-14(10-25-3)9-18(16)32-4/h5-9,11-13,25H,10H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323277
PNG
(US9630956, Compound I-15)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C#N
Show InChI InChI=1S/C23H21N7O2/c1-14(10-24)30-13-17(7-8-21(30)31)19-12-27-23(25)22(28-19)20-9-18(29-32-20)16-5-3-15(4-6-16)11-26-2/h3-9,12-14,26H,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323280
PNG
(US9630956, Compound I-17)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)COC)c(C)c1
Show InChI InChI=1S/C24H27N7O3/c1-14-9-16(10-26-3)5-7-18(14)23-29-30-24(34-23)21-22(25)27-11-19(28-21)17-6-8-20(32)31(12-17)15(2)13-33-4/h5-9,11-12,15,26H,10,13H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323283
PNG
(US9630956, Compound I-20)
Show SMILES CC(C)NCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C25H29N7O2/c1-14(2)27-11-17-6-8-19(16(5)10-17)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(3)4/h6-10,12-15,27H,11H2,1-5H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323284
PNG
(US9630956, Compound I-21)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC(C)(C)C)cc1C
Show InChI InChI=1S/C26H31N7O2/c1-15(2)33-14-18(8-10-21(33)34)20-13-28-23(27)22(30-20)25-32-31-24(35-25)19-9-7-17(11-16(19)3)12-29-26(4,5)6/h7-11,13-15,29H,12H2,1-6H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323293
PNG
(US9630956, Compound I-30)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#CC)c(C)c1
Show InChI InChI=1S/C25H25N7O2/c1-5-6-16(3)32-14-18(8-10-21(32)33)20-13-28-23(26)22(29-20)25-31-30-24(34-25)19-9-7-17(12-27-4)11-15(19)2/h7-11,13-14,16,27H,12H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323295
PNG
(US9630956, Compound I-32)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(OC)c1
Show InChI InChI=1S/C25H27N7O3/c1-27-12-15-7-9-18(20(11-15)34-2)24-30-31-25(35-24)22-23(26)28-13-19(29-22)16-8-10-21(33)32(14-16)17-5-3-4-6-17/h7-11,13-14,17,27H,3-6,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323299
PNG
(US9630956, Compound I-36)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)CO)c(OC)c1
Show InChI InChI=1S/C23H25N7O4/c1-13(12-31)30-11-15(5-7-19(30)32)17-10-26-21(24)20(27-17)23-29-28-22(34-23)16-6-4-14(9-25-2)8-18(16)33-3/h4-8,10-11,13,25,31H,9,12H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323300
PNG
(US9630956, Compound I-37)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(OC)c1
Show InChI InChI=1S/C25H27N7O3/c1-14(16-5-6-16)32-13-17(7-9-21(32)33)19-12-28-23(26)22(29-19)25-31-30-24(35-25)18-8-4-15(11-27-2)10-20(18)34-3/h4,7-10,12-14,16,27H,5-6,11H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323397
PNG
(US9630956, Compound I-134)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,16-27)33-15-19(10-11-23(33)34)21-14-30-25(28)24(31-21)22-12-20(32-35-22)18-8-6-17(7-9-18)13-29-3/h6-12,14-15,29H,4-5,13H2,1-3H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323325
PNG
(US9630956, Compound I-62)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2)c1
Show InChI InChI=1S/C24H24N6O2/c1-26-11-15-4-6-17(7-5-15)19-10-21(32-29-19)23-24(25)27-12-20(28-23)18-8-9-22(31)30(14-18)13-16-2-3-16/h4-10,12,14,16,26H,2-3,11,13H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323335
PNG
(US9630956, Compound I-72)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2C)c1
Show InChI InChI=1S/C25H26N6O2/c1-15-9-19(15)14-31-13-18(7-8-23(31)32)21-12-28-25(26)24(29-21)22-10-20(30-33-22)17-5-3-16(4-6-17)11-27-2/h3-8,10,12-13,15,19,27H,9,11,14H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323351
PNG
(US9630956, Compound I-88)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(CO)c1
Show InChI InChI=1S/C21H20N6O3/c1-23-8-12-2-4-13(5-3-12)16-7-18(30-27-16)19-20(22)24-10-17(26-19)14-6-15(11-28)21(29)25-9-14/h2-7,9-10,23,28H,8,11H2,1H3,(H2,22,24)(H,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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323352
PNG
(US9630956, Compound I-89)
Show SMILES CCc1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C22H22N6O2/c1-3-14-8-16(11-26-22(14)29)18-12-25-21(23)20(27-18)19-9-17(28-30-19)15-6-4-13(5-7-15)10-24-2/h4-9,11-12,24H,3,10H2,1-2H3,(H2,23,25)(H,26,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323366
PNG
(US9630956, Compound I-103)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C20H18N6O2/c1-11(21)12-3-2-4-13(7-12)15-8-17(28-26-15)19-20(22)24-10-16(25-19)14-5-6-18(27)23-9-14/h2-11H,21H2,1H3,(H2,22,24)(H,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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323367
PNG
(US9630956, Compound I-104)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(N)=O
Show InChI InChI=1S/C23H23N7O3/c1-12(24)14-4-3-5-15(8-14)17-9-19(33-29-17)21-22(25)27-10-18(28-21)16-6-7-20(31)30(11-16)13(2)23(26)32/h3-13H,24H2,1-2H3,(H2,25,27)(H2,26,32)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323369
PNG
(US9630956, Compound I-106)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2C)c1
Show InChI InChI=1S/C25H26N6O2/c1-14-8-19(14)13-31-12-18(6-7-23(31)32)21-11-28-25(27)24(29-21)22-10-20(30-33-22)17-5-3-4-16(9-17)15(2)26/h3-7,9-12,14-15,19H,8,13,26H2,1-2H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323379
PNG
(US9630956, Compound I-116)
Show SMILES CCCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C26H30N6O2/c1-4-6-17(5-2)20-11-19(14-30-26(20)33)22-15-29-25(27)24(31-22)23-12-21(32-34-23)18-9-7-16(8-10-18)13-28-3/h7-12,14-15,17,28H,4-6,13H2,1-3H3,(H2,27,29)(H,30,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323408
PNG
(US9630956, Compound I-145)
Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOC2)cc1
Show InChI InChI=1S/C27H27N7O3/c1-27(2,16-28)34-14-19(7-8-24(34)35)22-13-31-26(29)25(32-22)23-11-21(33-37-23)18-5-3-17(4-6-18)12-30-20-9-10-36-15-20/h3-8,11,13-14,20,30H,9-10,12,15H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323409
PNG
(US9630956, Compound I-146)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)(C)N
Show InChI InChI=1S/C26H30N6O2/c1-5-19(6-2)32-15-17(10-11-23(32)33)21-14-29-25(27)24(30-21)22-13-20(31-34-22)16-8-7-9-18(12-16)26(3,4)28/h7-15,19H,5-6,28H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323410
PNG
(US9630956, Compound I-147)
Show SMILES CC(CO)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N
Show InChI InChI=1S/C26H27N7O3/c1-16(14-34)29-11-17-4-6-18(7-5-17)20-10-22(36-32-20)24-25(28)30-12-21(31-24)19-8-9-23(35)33(13-19)26(2,3)15-27/h4-10,12-13,16,29,34H,11,14H2,1-3H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323272
PNG
(US9630956, Compound I-10)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(F)c1
Show InChI InChI=1S/C22H22FN7O2/c1-12(2)30-11-14(5-7-18(30)31)17-10-26-20(24)19(27-17)22-29-28-21(32-22)15-6-4-13(9-25-3)8-16(15)23/h4-8,10-12,25H,9H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323291
PNG
(US9630956, Compound I-28)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CC(F)(F)F)c2)c(OC)c1
Show InChI InChI=1S/C22H20F3N7O3/c1-27-8-12-3-5-14(16(7-12)34-2)20-30-31-21(35-20)18-19(26)28-9-15(29-18)13-4-6-17(33)32(10-13)11-22(23,24)25/h3-7,9-10,27H,8,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323304
PNG
(US9630956, Compound I-41)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C23H22F3N7O3/c1-12(23(24,25)26)33-11-14(5-7-18(33)34)16-10-29-20(27)19(30-16)22-32-31-21(36-22)15-6-4-13(9-28-2)8-17(15)35-3/h4-8,10-12,28H,9H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323398
PNG
(Synthesis of 2-[5-[5-amino-6-[3-[4-[(cyclopropylam...)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F
Show InChI InChI=1S/C26H26FN7O2/c1-4-26(5-2,15-28)34-14-17(7-9-23(34)35)21-13-31-25(29)24(32-21)22-11-20(33-36-22)18-8-6-16(12-30-3)10-19(18)27/h6-11,13-14,30H,4-5,12H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323318
PNG
(US9630956, Compound I-55)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)N
Show InChI InChI=1S/C23H24N6O2/c1-13(2)29-12-17(7-8-21(29)30)19-11-26-23(25)22(27-19)20-10-18(28-31-20)16-6-4-5-15(9-16)14(3)24/h4-14H,24H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323320
PNG
(US9630956, Compound I-57)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1
Show InChI InChI=1S/C25H26N6O2/c1-14(26)17-4-3-5-18(10-17)20-11-22(33-30-20)24-25(27)28-12-21(29-24)19-8-9-23(32)31(13-19)15(2)16-6-7-16/h3-5,8-16H,6-7,26H2,1-2H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323342
PNG
(US9630956, Compound I-79)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1
Show InChI InChI=1S/C25H26N6O2/c1-15(17-7-8-17)31-14-19(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)18-5-3-16(4-6-18)12-27-2/h3-6,9-11,13-15,17,27H,7-8,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323346
PNG
(US9630956, Compound I-83)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C25H28N6O2/c1-4-19(5-2)31-15-18(10-11-23(31)32)21-14-28-25(26)24(29-21)22-12-20(30-33-22)17-8-6-16(7-9-17)13-27-3/h6-12,14-15,19,27H,4-5,13H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323354
PNG
(US9630956, Compound I-91)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(=O)NC
Show InChI InChI=1S/C24H25N7O3/c1-14(24(33)27-3)31-13-17(8-9-21(31)32)19-12-28-23(25)22(29-19)20-10-18(30-34-20)16-6-4-15(5-7-16)11-26-2/h4-10,12-14,26H,11H2,1-3H3,(H2,25,28)(H,27,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323358
PNG
(US9630956, Compound I-95)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCOC)c1
Show InChI InChI=1S/C23H24N6O3/c1-25-12-15-3-5-16(6-4-15)18-11-20(32-28-18)22-23(24)26-13-19(27-22)17-7-8-21(30)29(14-17)9-10-31-2/h3-8,11,13-14,25H,9-10,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323372
PNG
(US9630956, Compound I-109)
Show SMILES CCCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C23H24N6O2/c1-3-10-29-14-17(8-9-21(29)30)19-13-26-23(24)22(27-19)20-11-18(28-31-20)16-6-4-15(5-7-16)12-25-2/h4-9,11,13-14,25H,3,10,12H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323376
PNG
(US9630956, Compound I-113)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)COC2)c1
Show InChI InChI=1S/C25H26N6O3/c1-25(14-33-15-25)13-31-12-18(7-8-22(31)32)20-11-28-24(26)23(29-20)21-9-19(30-34-21)17-5-3-16(4-6-17)10-27-2/h3-9,11-12,27H,10,13-15H2,1-2H3,(H2,26,28)
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<5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323388
PNG
(US9630956, Compound I-125)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N
Show InChI InChI=1S/C24H23N7O2/c1-24(2,14-25)31-13-17(8-9-21(31)32)19-12-28-23(26)22(29-19)20-10-18(30-33-20)16-6-4-15(5-7-16)11-27-3/h4-10,12-13,27H,11H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323405
PNG
(US9630956, Compound I-142)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(C(C)N)c1F
Show InChI InChI=1S/C25H27FN6O2/c1-4-16(5-2)32-13-15(9-10-22(32)33)20-12-29-25(28)24(30-20)21-11-19(31-34-21)18-8-6-7-17(14(3)27)23(18)26/h6-14,16H,4-5,27H2,1-3H3,(H2,28,29)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323286
PNG
(US9630956, Compound I-23 | US9630956, Compound I-5...)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1
Show InChI InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323289
PNG
(US9630956, Compound I-26)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CC(C)C)c2)c(OC)c1
Show InChI InChI=1S/C24H27N7O3/c1-14(2)12-31-13-16(6-8-20(31)32)18-11-27-22(25)21(28-18)24-30-29-23(34-24)17-7-5-15(10-26-3)9-19(17)33-4/h5-9,11,13-14,26H,10,12H2,1-4H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323297
PNG
(US9630956, Compound I-34)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#N)c(OC)c1
Show InChI InChI=1S/C23H22N8O3/c1-13(9-24)31-12-15(5-7-19(31)32)17-11-27-21(25)20(28-17)23-30-29-22(34-23)16-6-4-14(10-26-2)8-18(16)33-3/h4-8,11-13,26H,10H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323316
PNG
(US9630956, Compound I-53)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C25H26N6O2/c1-15(26)16-5-4-6-17(11-16)20-12-22(33-30-20)24-25(27)28-13-21(29-24)18-9-10-23(32)31(14-18)19-7-2-3-8-19/h4-6,9-15,19H,2-3,7-8,26H2,1H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323337
PNG
(US9630956, Compound I-74)
Show SMILES CCC(Cn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1)OC
Show InChI InChI=1S/C25H28N6O3/c1-4-19(33-3)15-31-14-18(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-34-22)17-7-5-16(6-8-17)12-27-2/h5-11,13-14,19,27H,4,12,15H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323341
PNG
(US9630956, Compound I-78)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(Br)c1
Show InChI InChI=1S/C20H17BrN6O2/c1-23-8-11-2-4-12(5-3-11)15-7-17(29-27-15)18-19(22)24-10-16(26-18)13-6-14(21)20(28)25-9-13/h2-7,9-10,23H,8H2,1H3,(H2,22,24)(H,25,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323356
PNG
(US9630956, Compound I-93)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C27H30N6O2/c1-3-21(4-2)33-16-19(9-12-25(33)34)23-15-30-27(28)26(31-23)24-13-22(32-35-24)18-7-5-17(6-8-18)14-29-20-10-11-20/h5-9,12-13,15-16,20-21,29H,3-4,10-11,14H2,1-2H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323371
PNG
(US9630956, Compound I-108)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H20N6O2/c1-23-10-13-3-5-14(6-4-13)16-9-18(29-26-16)20-21(22)24-11-17(25-20)15-7-8-19(28)27(2)12-15/h3-9,11-12,23H,10H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323374
PNG
(Synthesis of 5-[5-amino-6-[3-[4-[(cyclopropylamino...)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C22H20N6O2/c23-22-21(27-18(12-26-22)15-5-8-20(29)25-11-15)19-9-17(28-30-19)14-3-1-13(2-4-14)10-24-16-6-7-16/h1-5,8-9,11-12,16,24H,6-7,10H2,(H2,23,26)(H,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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323378
PNG
(US9630956, Compound I-115)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C26H28N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h7-12,14-15,17,28H,2-6,13H2,1H3,(H2,27,29)(H,30,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323382
PNG
(US9630956, Compound I-119)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1c[nH]c(=O)c(c1)C1CCCC1
Show InChI InChI=1S/C27H28N6O2/c28-26-25(24-12-22(33-35-24)18-7-5-16(6-8-18)13-29-20-9-10-20)32-23(15-30-26)19-11-21(27(34)31-14-19)17-3-1-2-4-17/h5-8,11-12,14-15,17,20,29H,1-4,9-10,13H2,(H2,28,30)(H,31,34)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323401
PNG
(US9630956, Compound I-138 | US9630956, Compound I-...)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N
Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323406
PNG
(US9630956, Compound I-143)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1(CCCC1)C#N
Show InChI InChI=1S/C26H25N7O2/c1-29-13-17-4-6-18(7-5-17)20-12-22(35-32-20)24-25(28)30-14-21(31-24)19-8-9-23(34)33(15-19)26(16-27)10-2-3-11-26/h4-9,12,14-15,29H,2-3,10-11,13H2,1H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323407
PNG
(US9630956, Compound I-144)
Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C26H25N7O2/c1-26(2,15-27)33-14-18(7-10-23(33)34)21-13-30-25(28)24(31-21)22-11-20(32-35-22)17-5-3-16(4-6-17)12-29-19-8-9-19/h3-7,10-11,13-14,19,29H,8-9,12H2,1-2H3,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323279
PNG
(US9630956, Compound I-16)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#N)c(C)c1
Show InChI InChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323281
PNG
(US9630956, Compound I-18)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(C)c1
Show InChI InChI=1S/C25H27N7O2/c1-14-10-16(11-27-3)4-8-19(14)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(2)17-5-6-17/h4,7-10,12-13,15,17,27H,5-6,11H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323282
PNG
(US9630956, Compound I-19)
Show SMILES CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1OC
Show InChI InChI=1S/C22H23N7O3/c1-4-29-12-14(6-8-18(29)30)16-11-25-20(23)19(26-16)22-28-27-21(32-22)15-7-5-13(10-24-2)9-17(15)31-3/h5-9,11-12,24H,4,10H2,1-3H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323290
PNG
(US9630956, Compound I-27)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CC(F)(F)F)c2)c(C)c1
Show InChI InChI=1S/C22H20F3N7O2/c1-12-7-13(8-27-2)3-5-15(12)20-30-31-21(34-20)18-19(26)28-9-16(29-18)14-4-6-17(33)32(10-14)11-22(23,24)25/h3-7,9-10,27H,8,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323305
PNG
(US9630956, Compound I-42)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(c1)C(C)N
Show InChI InChI=1S/C22H23N7O2/c1-12(2)29-11-16(7-8-18(29)30)17-10-25-20(24)19(26-17)22-28-27-21(31-22)15-6-4-5-14(9-15)13(3)23/h4-13H,23H2,1-3H3,(H2,24,25)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323286
PNG
(US9630956, Compound I-23 | US9630956, Compound I-5...)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1
Show InChI InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323340
PNG
(US9630956, Compound I-77)
Show SMILES CC[C@H](C)CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C26H30N6O2/c1-4-17(2)11-12-32-16-20(9-10-24(32)33)22-15-29-26(27)25(30-22)23-13-21(31-34-23)19-7-5-18(6-8-19)14-28-3/h5-10,13,15-17,28H,4,11-12,14H2,1-3H3,(H2,27,29)/t17-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323343
PNG
(US9630956, Compound I-80)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(CO)CC2)c1
Show InChI InChI=1S/C25H26N6O3/c1-27-11-16-2-4-17(5-3-16)19-10-21(34-30-19)23-24(26)28-12-20(29-23)18-6-7-22(33)31(13-18)14-25(15-32)8-9-25/h2-7,10,12-13,27,32H,8-9,11,14-15H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323344
PNG
(US9630956, Compound I-81)
Show SMILES CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C22H22N6O2/c1-3-28-13-16(8-9-20(28)29)18-12-25-22(23)21(26-18)19-10-17(27-30-19)15-6-4-14(5-7-15)11-24-2/h4-10,12-13,24H,3,11H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323347
PNG
(US9630956, Compound I-84)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccs2)c1
Show InChI InChI=1S/C24H21N7O2S/c1-26-11-15-2-4-16(5-3-15)18-10-20(33-30-18)23-24(25)28-12-19(29-23)17-6-7-22(32)31(13-17)14-21-27-8-9-34-21/h2-10,12-13,26H,11,14H2,1H3,(H2,25,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323355
PNG
(US9630956, Compound I-92)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C27H28N6O2/c28-27-26(24-13-22(32-35-24)18-7-5-17(6-8-18)14-29-20-10-11-20)31-23(15-30-27)19-9-12-25(34)33(16-19)21-3-1-2-4-21/h5-9,12-13,15-16,20-21,29H,1-4,10-11,14H2,(H2,28,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323368
PNG
(US9630956, Compound I-105)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)CC2)c1
Show InChI InChI=1S/C25H26N6O2/c1-15(26)16-4-3-5-17(10-16)19-11-21(33-30-19)23-24(27)28-12-20(29-23)18-6-7-22(32)31(13-18)14-25(2)8-9-25/h3-7,10-13,15H,8-9,14,26H2,1-2H3,(H2,27,28)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323373
PNG
(US9630956, Compound I-110)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)C1=CCC(=O)[N](CCO)=C1
Show InChI InChI=1S/C22H23N6O3/c1-24-11-14-2-4-15(5-3-14)17-10-19(31-27-17)21-22(23)25-12-18(26-21)16-6-7-20(30)28(13-16)8-9-29/h2-6,10,12-13,24,29H,7-9,11H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323377
PNG
(US9630956, Compound I-114)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1=CCCCC1
Show InChI InChI=1S/C26H26N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h5,7-12,14-15,28H,2-4,6,13H2,1H3,(H2,27,29)(H,30,33)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323401
PNG
(US9630956, Compound I-138 | US9630956, Compound I-...)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N
Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323403
PNG
(US9630956, Compound I-140)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2(C)CC2)cc1
Show InChI InChI=1S/C28H32N6O2/c1-4-21(5-2)34-17-20(10-11-25(34)35)23-16-30-27(29)26(32-23)24-14-22(33-36-24)19-8-6-18(7-9-19)15-31-28(3)12-13-28/h6-11,14,16-17,21,31H,4-5,12-13,15H2,1-3H3,(H2,29,30)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323411
PNG
(US9630956, Compound I-148)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C19H17N7O2/c1-21-8-11-2-4-12(5-3-11)18-25-26-19(28-18)16-17(20)23-10-14(24-16)13-6-7-15(27)22-9-13/h2-7,9-10,21H,8H2,1H3,(H2,20,23)(H,22,27)
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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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323265
PNG
(US9630956, Compound I-3)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C22H23N7O2/c1-13(2)29-12-16(8-9-18(29)30)17-11-25-20(23)19(26-17)22-28-27-21(31-22)15-6-4-14(5-7-15)10-24-3/h4-9,11-13,24H,10H2,1-3H3,(H2,23,25)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323266
PNG
(US9630956, Compound I-4)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(CCO)c1
Show InChI InChI=1S/C21H21N7O3/c1-23-10-13-2-4-14(5-3-13)20-26-27-21(31-20)18-19(22)24-11-16(25-18)15-6-7-17(30)28(12-15)8-9-29/h2-7,11-12,23,29H,8-10H2,1H3,(H2,22,24)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323294
PNG
(US9630956, Compound I-31)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)CF)c(C)c1
Show InChI InChI=1S/C23H24FN7O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,9-10H2,1-3H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323287
PNG
(Synthesis of 5-[5-amino-6-[5-[2-methyl-4-(methylam...)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CCN(C)C)c2)c(C)c1
Show InChI InChI=1S/C24H28N8O2/c1-15-11-16(12-26-2)5-7-18(15)23-29-30-24(34-23)21-22(25)27-13-19(28-21)17-6-8-20(33)32(14-17)10-9-31(3)4/h5-8,11,13-14,26H,9-10,12H2,1-4H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323339
PNG
(US9630956, Compound I-76)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C20H18N6O2/c1-22-9-12-2-4-13(5-3-12)15-8-17(28-26-15)19-20(21)24-11-16(25-19)14-6-7-18(27)23-10-14/h2-8,10-11,22H,9H2,1H3,(H2,21,24)(H,23,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323334
PNG
(US9630956, Compound I-71)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1cc(Br)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C23H23BrN6O2/c1-13(2)30-12-16(8-17(24)23(30)31)19-11-27-22(25)21(28-19)20-9-18(29-32-20)15-6-4-14(5-7-15)10-26-3/h4-9,11-13,26H,10H2,1-3H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323271
PNG
(US9630956, Compound I-9)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCOC1
Show InChI InChI=1S/C23H23N7O3/c1-25-10-14-2-4-15(5-3-14)22-28-29-23(33-22)20-21(24)26-11-18(27-20)16-6-7-19(31)30(12-16)17-8-9-32-13-17/h2-7,11-12,17,25H,8-10,13H2,1H3,(H2,24,26)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323414
PNG
(US9630956, Compound I-151)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(C(C)C)c2C#N)c(C)c1
Show InChI InChI=1S/C24H24N8O2/c1-13(2)32-19(10-25)17(7-8-20(32)33)18-12-28-22(26)21(29-18)24-31-30-23(34-24)16-6-5-15(11-27-4)9-14(16)3/h5-9,12-13,27H,11H2,1-4H3,(H2,26,28)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323308
PNG
(US9630956, Compound I-45)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(cc1)C(C)N
Show InChI InChI=1S/C22H23N7O2/c1-12(2)29-11-16(8-9-18(29)30)17-10-25-20(24)19(26-17)22-28-27-21(31-22)15-6-4-14(5-7-15)13(3)23/h4-13H,23H2,1-3H3,(H2,24,25)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323312
PNG
(Synthesis of 5-(5-amino-6-(3-(3-((methylamino)meth...)
Show SMILES CNCc1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C23H24N6O2/c1-14(2)29-13-17(7-8-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-5-15(9-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(H2,24,26)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323264
PNG
(US9630956, Compound I-2)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(CCOC)c1
Show InChI InChI=1S/C22H23N7O3/c1-24-11-14-3-5-15(6-4-14)21-27-28-22(32-21)19-20(23)25-12-17(26-19)16-7-8-18(30)29(13-16)9-10-31-2/h3-8,12-13,24H,9-11H2,1-2H3,(H2,23,25)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323307
PNG
(US9630956, Compound I-44)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC(C)(C)C)cc1
Show InChI InChI=1S/C26H30N6O2/c1-16(2)32-15-19(10-11-23(32)33)21-14-28-25(27)24(30-21)22-12-20(31-34-22)18-8-6-17(7-9-18)13-29-26(3,4)5/h6-12,14-16,29H,13H2,1-5H3,(H2,27,28)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323315
PNG
(US9630956, Compound I-52)
Show SMILES CC(C)(CO)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C28H32N6O3/c1-28(2,17-35)31-14-18-7-9-19(10-8-18)22-13-24(37-33-22)26-27(29)30-15-23(32-26)20-11-12-25(36)34(16-20)21-5-3-4-6-21/h7-13,15-16,21,31,35H,3-6,14,17H2,1-2H3,(H2,29,30)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323269
PNG
(US9630956, Compound I-7)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(CC#N)c1
Show InChI InChI=1S/C21H18N8O2/c1-24-10-13-2-4-14(5-3-13)20-27-28-21(31-20)18-19(23)25-11-16(26-18)15-6-7-17(30)29(12-15)9-8-22/h2-7,11-12,24H,9-10H2,1H3,(H2,23,25)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323310
PNG
(US9630956, Compound I-47)
Show SMILES CNCc1cccc(c1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
Show InChI InChI=1S/C22H23N7O2/c1-13(2)29-12-16(7-8-18(29)30)17-11-25-20(23)19(26-17)22-28-27-21(31-22)15-6-4-5-14(9-15)10-24-3/h4-9,11-13,24H,10H2,1-3H3,(H2,23,25)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323314
PNG
(US9630956, Compound I-51)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CN2CCCC2)cc1)-c1ccc(=O)n(c1)C1CCCC1
Show InChI InChI=1S/C28H30N6O2/c29-28-27(31-24(16-30-28)21-11-12-26(35)34(18-21)22-5-1-2-6-22)25-15-23(32-36-25)20-9-7-19(8-10-20)17-33-13-3-4-14-33/h7-12,15-16,18,22H,1-6,13-14,17H2,(H2,29,30)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323400
PNG
(US9630956, Compound I-137)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C1(N)CC1
Show InChI InChI=1S/C26H28N6O2/c1-3-19(4-2)32-15-17(8-9-23(32)33)21-14-29-25(27)24(30-21)22-13-20(31-34-22)16-6-5-7-18(12-16)26(28)10-11-26/h5-9,12-15,19H,3-4,10-11,28H2,1-2H3,(H2,27,29)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323412
PNG
(US9630956, Compound I-149)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(C(C)C)c1C#N
Show InChI InChI=1S/C23H22N8O2/c1-13(2)31-18(10-24)16(8-9-19(31)32)17-12-27-21(25)20(28-17)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-9,12-13,26H,11H2,1-3H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323270
PNG
(US9630956, Compound I-8)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCOC2)c(OC)c1
Show InChI InChI=1S/C24H25N7O4/c1-26-10-14-3-5-17(19(9-14)33-2)23-29-30-24(35-23)21-22(25)27-11-18(28-21)15-4-6-20(32)31(12-15)16-7-8-34-13-16/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323302
PNG
(US9630956, Compound I-39)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(c1)C#N
Show InChI InChI=1S/C23H22N8O2/c1-13(2)31-12-15(5-7-19(31)32)18-11-27-21(25)20(28-18)23-30-29-22(33-23)17-6-4-14(10-26-3)8-16(17)9-24/h4-8,11-13,26H,10H2,1-3H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323303
PNG
(US9630956, Compound I-40)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC(C)(C)C)cc1C#N
Show InChI InChI=1S/C26H28N8O2/c1-15(2)34-14-17(7-9-21(34)35)20-13-29-23(28)22(31-20)25-33-32-24(36-25)19-8-6-16(10-18(19)11-27)12-30-26(3,4)5/h6-10,13-15,30H,12H2,1-5H3,(H2,28,29)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323364
PNG
(Synthesis of 2-(5-(5-amino-6-(3-(4-((methylamino)m...)
Show SMILES CCN(CC)C(=O)C(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C27H31N7O3/c1-5-33(6-2)27(36)17(3)34-16-20(11-12-24(34)35)22-15-30-26(28)25(31-22)23-13-21(32-37-23)19-9-7-18(8-10-19)14-29-4/h7-13,15-17,29H,5-6,14H2,1-4H3,(H2,28,30)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323384
PNG
(US9630956, Compound I-121)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1cc(F)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C23H23FN6O2/c1-13(2)30-12-16(8-17(24)23(30)31)19-11-27-22(25)21(28-19)20-9-18(29-32-20)15-6-4-14(5-7-15)10-26-3/h4-9,11-13,26H,10H2,1-3H3,(H2,25,27)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323301
PNG
(US9630956, Compound I-38)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C23H23N7O4/c1-12-8-14(9-25-3)4-6-16(12)21-28-29-22(34-21)19-20(24)26-10-17(27-19)15-5-7-18(31)30(11-15)13(2)23(32)33/h4-8,10-11,13,25H,9H2,1-3H3,(H2,24,26)(H,32,33)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323263
PNG
(US9630956, Compound I-1)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H19N7O2/c1-22-9-12-3-5-13(6-4-12)19-25-26-20(29-19)17-18(21)23-10-15(24-17)14-7-8-16(28)27(2)11-14/h3-8,10-11,22H,9H2,1-2H3,(H2,21,23)
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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323322
PNG
(US9630956, Compound I-59)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)C(N)CF
Show InChI InChI=1S/C23H23FN6O2/c1-13(2)30-12-16(7-8-21(30)31)19-11-27-23(26)22(28-19)20-9-18(29-32-20)15-5-3-14(4-6-15)17(25)10-24/h3-9,11-13,17H,10,25H2,1-2H3,(H2,26,27)
PDB

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27.5n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323309
PNG
(US9630956, Compound I-46)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(CNC(C)(C)C)c1
Show InChI InChI=1S/C25H29N7O2/c1-15(2)32-14-18(9-10-20(32)33)19-13-27-22(26)21(29-19)24-31-30-23(34-24)17-8-6-7-16(11-17)12-28-25(3,4)5/h6-11,13-15,28H,12H2,1-5H3,(H2,26,27)
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75n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323328
PNG
(US9630956, Compound I-65)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C28H26N6O2/c1-18(2)34-17-21(12-13-26(34)35)24-16-31-28(29)27(32-24)25-14-23(33-36-25)20-10-8-19(9-11-20)15-30-22-6-4-3-5-7-22/h3-14,16-18,30H,15H2,1-2H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323267
PNG
(US9630956, Compound I-5)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)n(CCCN)c1
Show InChI InChI=1S/C22H24N8O2/c1-25-11-14-3-5-15(6-4-14)21-28-29-22(32-21)19-20(24)26-12-17(27-19)16-7-8-18(31)30(13-16)10-2-9-23/h3-8,12-13,25H,2,9-11,23H2,1H3,(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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323330
PNG
(US9630956, Compound I-67)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1cc(C=C)c(=O)n(c1)C(C)C
Show InChI InChI=1S/C25H26N6O2/c1-5-17-10-19(14-31(15(2)3)25(17)32)21-13-28-24(26)23(29-21)22-11-20(30-33-22)18-8-6-16(7-9-18)12-27-4/h5-11,13-15,27H,1,12H2,2-4H3,(H2,26,28)
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75n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323413
PNG
(US9630956, Compound I-150)
Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(C(C)C)c2C)c(C)c1
Show InChI InChI=1S/C24H27N7O2/c1-13(2)31-15(4)18(8-9-20(31)32)19-12-27-22(25)21(28-19)24-30-29-23(33-24)17-7-6-16(11-26-5)10-14(17)3/h6-10,12-13,26H,11H2,1-5H3,(H2,25,27)
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75n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323311
PNG
(US9630956, Compound I-48)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(CNC(C)(C)C)c1
Show InChI InChI=1S/C26H30N6O2/c1-16(2)32-15-19(9-10-23(32)33)21-14-28-25(27)24(30-21)22-12-20(31-34-22)18-8-6-7-17(11-18)13-29-26(3,4)5/h6-12,14-16,29H,13H2,1-5H3,(H2,27,28)
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PC cid
PC sid
UniChem
US Patent
75n/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 US9630956 (2017)

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


(Homo sapiens (Human))
BDBM323338
PNG
(US9630956, Compound I-75)
Show SMILES CCc1cc(cn(C(C)C)c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
Show InChI InChI=1S/C25H28N6O2/c1-5-17-10-19(14-31(15(2)3)25(17)32)21-13-28-24(26)23(29-21)22-11-20(30-33-22)18-8-6-16(7-9-18)12-27-4/h6-11,13-15,27H,5,12H2,1-4H3,(H2,26,28)
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
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75n/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 US9630956 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%