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Patent code US10479788

Compile Data Set for Download or QSAR
Found 156 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241341
PNG
(US10479788, Example 185 | US9409907, 185)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1CO
Show InChI InChI=1/C25H29N7O3/c1-25(7-9-35-15-25)14-28-23-22-17(6-8-26-23)11-27-24(31-22)30-19-5-4-16(10-21(19)34-3)18-12-29-32(2)20(18)13-33/h4-6,8,10-12,33H,7,9,13-15H2,1-3H3,(H,26,28)(H,27,30,31)
PDB
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241345
PNG
(US10479788, Example 189 | US9409907, 189)
Show SMILES CCOc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1nncn1C
Show InChI InChI=1/C24H28N8O2/c1-4-34-19-11-16(22-31-28-15-32(22)3)5-6-18(19)29-23-26-12-17-7-9-25-21(20(17)30-23)27-13-24(2)8-10-33-14-24/h5-7,9,11-12,15H,4,8,10,13-14H2,1-3H3,(H,25,27)(H,26,29,30)
PDB
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241340
PNG
(US10479788, Example 184 | US9409907, 184)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnn(C)c1CO
Show InChI InChI=1S/C24H29N7O3/c1-24(2,34-5)14-27-22-21-16(8-9-25-22)11-26-23(30-21)29-18-7-6-15(10-20(18)33-4)17-12-28-31(3)19(17)13-32/h6-12,32H,13-14H2,1-5H3,(H,25,27)(H,26,29,30)
PDB
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241344
PNG
(US10479788, Example 188 | US9409907, 188)
Show SMILES CCOc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O2/c1-6-33-18-11-15(21-30-27-14-31(21)4)7-8-17(18)28-22-25-12-16-9-10-24-20(19(16)29-22)26-13-23(2,3)32-5/h7-12,14H,6,13H2,1-5H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241317
PNG
(US10479788, Example 163 | US9409907, 161)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1nnnn1C
Show InChI InChI=1S/C20H24N10O2/c1-20(2,32-5)11-23-16-15-12(8-9-21-16)10-22-19(26-15)25-14-7-6-13(24-18(14)31-4)17-27-28-29-30(17)3/h6-10H,11H2,1-5H3,(H,21,23)(H,22,25,26)
PDB
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241343
PNG
(US10479788, Example 187 | US9409907, 187)
Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2ncc3ccnc(NCC4(C)CCOC4)c3n2)c(OC)c1
Show InChI InChI=1/C27H33N7O3/c1-18-29-15-22(34(18)10-12-35-3)19-5-6-21(23(13-19)36-4)32-26-30-14-20-7-9-28-25(24(20)33-26)31-16-27(2)8-11-37-17-27/h5-7,9,13-15H,8,10-12,16-17H2,1-4H3,(H,28,31)(H,30,32,33)
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241301
PNG
(US10479788, Example 145 | US9409907, 145)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/C25H27N7O2/c1-16-19(12-28-31(16)2)17-4-5-20(21(10-17)33-3)29-24-27-11-18-6-8-26-23(22(18)30-24)32-9-7-25(13-32)14-34-15-25/h4-6,8,10-12H,7,9,13-15H2,1-3H3,(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241360
PNG
(US10479788, Example 204 | US9409907, 204)
Show SMILES COC(C)(C)CNc1nccc2cnc(Nc3ccc(cc3OC(F)F)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,33-4)13-28-20-19-15(7-8-26-20)10-27-22(31-19)30-17-6-5-14(9-18(17)34-21(24)25)16-11-29-32(3)12-16/h5-12,21H,13H2,1-4H3,(H,26,28)(H,27,30,31)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241267
PNG
(US10479788, Example 109 | US9409907, 109)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)COC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O2/c1-23(13-32-14-23)12-26-21-20-16(6-7-24-21)9-25-22(29-20)28-18-5-4-15(8-19(18)31-3)17-10-27-30(2)11-17/h4-11H,12-14H2,1-3H3,(H,24,26)(H,25,28,29)
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241331
PNG
(US10479788, Example 175 | US9409907, 175)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C22H26N8O/c1-22(2,3)12-25-19-18-15(8-9-23-19)11-24-21(28-18)27-16-7-6-14(10-17(16)31-5)20-29-26-13-30(20)4/h6-11,13H,12H2,1-5H3,(H,23,25)(H,24,27,28)
PDB
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241303
PNG
(US10479788, Example 147 | US9409907, 147)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/C24H29N7O2/c1-15-18(13-28-31(15)4)16-7-8-19(20(11-16)32-5)29-23-26-12-17-9-10-25-22(21(17)30-23)27-14-24(2,3)33-6/h7-13H,14H2,1-6H3,(H,25,27)(H,26,29,30)
PDB
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241347
PNG
(US10479788, Example 191 | US9409907, 191)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cn(C)nc1C
Show InChI InChI=1/C25H29N7O2/c1-16-19(13-32(3)31-16)17-5-6-20(21(11-17)33-4)29-24-27-12-18-7-9-26-23(22(18)30-24)28-14-25(2)8-10-34-15-25/h5-7,9,11-13H,8,10,14-15H2,1-4H3,(H,26,28)(H,27,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241307
PNG
(US10479788, Example 151 | US9409907, 151)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cnc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O/c1-14-10-24-20(26-12-23(2,3)4)19-16(14)11-25-22(29-19)28-17-8-7-15(9-18(17)32-6)21-30-27-13-31(21)5/h7-11,13H,12H2,1-6H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241304
PNG
(US10479788, Example 148 | US9409907, 148)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1C
Show InChI InChI=1/C25H29N7O2/c1-16-19(13-29-32(16)3)17-5-6-20(21(11-17)33-4)30-24-27-12-18-7-9-26-23(22(18)31-24)28-14-25(2)8-10-34-15-25/h5-7,9,11-13H,8,10,14-15H2,1-4H3,(H,26,28)(H,27,30,31)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241219
PNG
(US10479788, Example 61 | US9409907, 61)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCOCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O2/c1-28-14-17(13-25-28)15-3-4-18(19(11-15)30-2)26-22-24-12-16-5-6-23-21(20(16)27-22)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
PDB
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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM421055
PNG
(US10479788, Example 166)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnnn1C
Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-13(8-9-22-18)10-23-20(28-17)27-15-7-6-14(26-19(15)31-4)16-11-25-29-30(16)3/h6-11H,12H2,1-5H3,(H,22,24)(H,23,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241332
PNG
(US10479788, Example 176 | US9409907, 176)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H33N7O3S/c1-24(2,3)16-27-22-21-17(8-9-25-22)15-26-23(29-21)28-19-7-6-18(14-20(19)34-4)30-10-12-31(13-11-30)35(5,32)33/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241278
PNG
(US10479788, Example 120 | US9409907, 120)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOC4)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-13-24(14-31)6-8-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241283
PNG
(US10479788, Example 125 | US9409907, 125)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H27N7O2/c1-15(18-7-9-33-14-18)28-23-22-17(6-8-25-23)11-26-24(30-22)29-20-5-4-16(10-21(20)32-3)19-12-27-31(2)13-19/h4-6,8,10-13,15,18H,7,9,14H2,1-3H3,(H,25,28)(H,26,29,30)
PDB
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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241316
PNG
(US10479788, Example 160 | US9409907, 160)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H28N8O2/c1-4-35-20-10-17(22-31-27-15-32(22)3)5-6-19(20)29-24-26-11-18-9-16(2)28-23(21(18)30-24)33-12-25(13-33)7-8-34-14-25/h5-6,9-11,15H,4,7-8,12-14H2,1-3H3,(H,26,29,30)
PDB
MMDB

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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241320
PNG
(US10479788, Example 164 | US9409907, 164)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cn(C)nc1C
Show InChI InChI=1S/C23H28N8O2/c1-14-16(12-31(4)30-14)17-7-8-18(21(27-17)32-5)28-22-25-11-15-9-10-24-20(19(15)29-22)26-13-23(2,3)33-6/h7-12H,13H2,1-6H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241277
PNG
(US10479788, Example 119 | US9409907, 119)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(C3)CCOCC4)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N7O2/c1-31-14-19(13-28-31)17-3-4-20(21(11-17)33-2)29-24-27-12-18-5-8-26-23(22(18)30-24)32-15-25(16-32)6-9-34-10-7-25/h3-5,8,11-14H,6-7,9-10,15-16H2,1-2H3,(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241306
PNG
(US10479788, Example 150 | US9409907, 150)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cnc(NCC(C)(C)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O2/c1-14-10-24-20(26-12-23(2,3)33-6)19-16(14)11-25-22(29-19)28-17-8-7-15(9-18(17)32-5)21-30-27-13-31(21)4/h7-11,13H,12H2,1-6H3,(H,24,26)(H,25,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241246
PNG
(US10479788, Example 88 | US9409907, 88)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H25N7O2/c1-30-12-18(11-27-30)16-3-4-19(20(9-16)32-2)28-23-26-10-17-5-7-25-22(21(17)29-23)31-8-6-24(13-31)14-33-15-24/h3-5,7,9-12H,6,8,13-15H2,1-2H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241336
PNG
(US10479788, Example 180 | US9409907, 180)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O2/c1-14-9-16-11-24-22(29-19(16)20(27-14)25-12-23(2,3)33-6)28-17-8-7-15(10-18(17)32-5)21-30-26-13-31(21)4/h7-11,13H,12H2,1-6H3,(H,25,27)(H,24,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241318
PNG
(US10479788, Example 162 | US9409907, 162)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C23H28N8O2/c1-14-25-12-18(31(14)4)16-7-8-17(21(28-16)32-5)29-22-26-11-15-9-10-24-20(19(15)30-22)27-13-23(2,3)33-6/h7-12H,13H2,1-6H3,(H,24,27)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241273
PNG
(US10479788, Example 115 | US9409907, 115)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23N7O2/c1-29-10-17(9-26-29)15-3-4-18(19(7-15)31-2)27-22-25-8-16-5-6-24-21(20(16)28-22)30-11-23(12-30)13-32-14-23/h3-10H,11-14H2,1-2H3,(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241291
PNG
(US10479788, Example 133 | US9409907, 133)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(CO)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O2/c1-29-13-18(11-26-29)16-3-4-19(20(9-16)32-2)27-23-25-10-17-5-7-24-22(21(17)28-23)30-8-6-15(12-30)14-31/h3-5,7,9-11,13,15,31H,6,8,12,14H2,1-2H3,(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241321
PNG
(US10479788, Example 165 | US9409907, 165)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/C23H28N8O2/c1-14-16(12-27-31(14)4)17-7-8-18(21(28-17)32-5)29-22-25-11-15-9-10-24-20(19(15)30-22)26-13-23(2,3)33-6/h7-12H,13H2,1-6H3,(H,24,26)(H,25,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241280
PNG
(US10479788, Example 122 | US9409907, 122)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(CCOC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C25H27N7O2/c1-31-14-19(13-28-31)17-3-4-20(21(11-17)33-2)29-24-27-12-18-5-8-26-23(22(18)30-24)32-9-6-25(15-32)7-10-34-16-25/h3-5,8,11-14H,6-7,9-10,15-16H2,1-2H3,(H,27,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241338
PNG
(US10479788, Example 182 | US9409907, 182)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241346
PNG
(US10479788, Example 190 | US9409907, 190)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cn(C)nc1C
Show InChI InChI=1S/C24H29N7O2/c1-15-18(13-31(4)30-15)16-7-8-19(20(11-16)32-5)28-23-26-12-17-9-10-25-22(21(17)29-23)27-14-24(2,3)33-6/h7-13H,14H2,1-6H3,(H,25,27)(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241314
PNG
(US10479788, Example 158 | US9409907, 158)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H31N7O2/c1-15-10-18-12-27-24(31-22(18)23(29-15)28-14-25(3,4)34-7)30-19-9-8-17(11-21(19)33-6)20-13-26-16(2)32(20)5/h8-13H,14H2,1-7H3,(H,28,29)(H,27,30,31)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241275
PNG
(US10479788, Example 117 | US9409907, 117)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H27N7O2/c1-24(7-9-33-15-24)14-27-22-21-17(6-8-25-22)11-26-23(30-21)29-19-5-4-16(10-20(19)32-3)18-12-28-31(2)13-18/h4-6,8,10-13H,7,9,14-15H2,1-3H3,(H,25,27)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241227
PNG
(US10479788, Example 69 | US9409907, 69)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCOCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O2/c1-30-14-17(13-26-30)15-3-4-19(20(11-15)31-2)28-23-25-12-16-5-8-24-22(21(16)29-23)27-18-6-9-32-10-7-18/h3-5,8,11-14,18H,6-7,9-10H2,1-2H3,(H,24,27)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241311
PNG
(US10479788, Example 155 | US9409907, 155)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cnc(NCC3(C)COC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O2/c1-14-8-24-20(26-10-23(2)11-33-12-23)19-16(14)9-25-22(29-19)28-17-6-5-15(7-18(17)32-4)21-30-27-13-31(21)3/h5-9,13H,10-12H2,1-4H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241309
PNG
(US10479788, Example 153 | US9409907, 153)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2ncc3ccnc(NCC(C)(C)C)c3n2)c(OC)c1
Show InChI InChI=1S/C24H30N6O3/c1-24(2,3)14-27-21-20-16(8-9-25-21)11-26-23(29-20)28-18-7-6-15(10-19(18)33-5)22(31)30-12-17(13-30)32-4/h6-11,17H,12-14H2,1-5H3,(H,25,27)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241302
PNG
(US10479788, Example 146 | US9409907, 146)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)COC3)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/C24H27N7O2/c1-15-18(11-28-31(15)3)16-5-6-19(20(9-16)32-4)29-23-26-10-17-7-8-25-22(21(17)30-23)27-12-24(2)13-33-14-24/h5-11H,12-14H2,1-4H3,(H,25,27)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241293
PNG
(US10479788, Example 135 | US9409907, 135)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCOC(CO)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O3/c1-29-12-17(11-26-29)15-3-4-19(20(9-15)32-2)27-23-25-10-16-5-6-24-22(21(16)28-23)30-7-8-33-18(13-30)14-31/h3-6,9-12,18,31H,7-8,13-14H2,1-2H3,(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241292
PNG
(US10479788, Example 134 | US9409907, 134)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC(CO)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H27N7O2/c1-30-14-19(12-27-30)17-5-6-20(21(10-17)33-2)28-24-26-11-18-7-8-25-23(22(18)29-24)31-9-3-4-16(13-31)15-32/h5-8,10-12,14,16,32H,3-4,9,13,15H2,1-2H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241349
PNG
(US10479788, Example 193 | US9409907, 193)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2ncc3ccnc(NCC(C)(C)OC)c3n2)c(OC)c1
Show InChI InChI=1S/C24H30N6O4/c1-24(2,34-5)14-27-21-20-16(8-9-25-21)11-26-23(29-20)28-18-7-6-15(10-19(18)33-4)22(31)30-12-17(13-30)32-3/h6-11,17H,12-14H2,1-5H3,(H,25,27)(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241288
PNG
(US10479788, Example 130 | US9409907, 130)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(CO)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O3/c1-28-10-15(9-24-28)13-3-4-17(18(7-13)31-2)26-21-23-8-14-5-6-22-20(19(14)27-21)25-16(11-29)12-30/h3-10,16,29-30H,11-12H2,1-2H3,(H,22,25)(H,23,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241233
PNG
(US10479788, Example 75 | US9409907, 75)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O/c1-14(15-4-5-15)27-22-21-17(8-9-24-22)11-25-23(29-21)28-19-7-6-16(10-20(19)31-3)18-12-26-30(2)13-18/h6-15H,4-5H2,1-3H3,(H,24,27)(H,25,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241232
PNG
(US10479788, Example 74 | US9409907, 74)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O2/c1-23(2,14-31)13-26-21-20-16(7-8-24-21)10-25-22(29-20)28-18-6-5-15(9-19(18)32-4)17-11-27-30(3)12-17/h5-12,31H,13-14H2,1-4H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241298
PNG
(US10479788, Example 140 | US9409907, 140)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(CC3)C#N)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H24N8O/c1-31-15-19(14-28-31)17-3-4-20(21(11-17)33-2)29-24-27-13-18-5-8-26-23(22(18)30-24)32-9-6-16(12-25)7-10-32/h3-5,8,11,13-16H,6-7,9-10H2,1-2H3,(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241289
PNG
(US10479788, Example 131 | US9409907, 131)
Show SMILES COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1/C22H25N7O3/c1-29-11-16(10-25-29)14-4-5-18(19(8-14)32-3)27-22-24-9-15-6-7-23-21(20(15)28-22)26-17(12-30)13-31-2/h4-11,17,30H,12-13H2,1-3H3,(H,23,26)(H,24,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241342
PNG
(US10479788, Example 186 | US9409907, 186)
Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2ncc3ccnc(NCC(C)(C)OC)c3n2)c(OC)c1
Show InChI InChI=1S/C26H33N7O3/c1-17-28-15-21(33(17)11-12-34-4)18-7-8-20(22(13-18)35-5)31-25-29-14-19-9-10-27-24(23(19)32-25)30-16-26(2,3)36-6/h7-10,13-15H,11-12,16H2,1-6H3,(H,27,30)(H,29,31,32)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241329
PNG
(US10479788, Example 173 | US9409907, 173)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)16-27-22-21-17(8-9-25-22)15-26-23(29-21)28-19-7-6-18(14-20(19)32-5)31-12-10-30(4)11-13-31/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241326
PNG
(US10479788, Example 170 | US9409907, 170)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H39N7O2/c1-28(2,3)19-31-26-25-20(7-10-29-26)18-30-27(33-25)32-23-6-5-22(17-24(23)36-4)34-11-8-21(9-12-34)35-13-15-37-16-14-35/h5-7,10,17-18,21H,8-9,11-16,19H2,1-4H3,(H,29,31)(H,30,32,33)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241348
PNG
(US10479788, Example 192 | US9409907, 192)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1)-c1cn(C)nc1C
Show InChI InChI=1S/C25H31N7O2/c1-15-10-18-12-26-24(30-22(18)23(28-15)27-14-25(3,4)34-7)29-20-9-8-17(11-21(20)33-6)19-13-32(5)31-16(19)2/h8-13H,14H2,1-7H3,(H,27,28)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241235
PNG
(US10479788, Example 77 | US9409907, 77)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241230
PNG
(US10479788, Example 72 | US9409907, 72)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3COC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O2/c1-29-11-17(10-26-29)15-3-4-18(19(7-15)30-2)27-22-25-9-16-5-6-23-21(20(16)28-22)24-8-14-12-31-13-14/h3-7,9-11,14H,8,12-13H2,1-2H3,(H,23,24)(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241333
PNG
(US10479788, Example 177 | US9409907, 177)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H31N7O/c1-15-10-18-12-27-24(31-22(18)23(29-15)28-14-25(3,4)5)30-19-9-8-17(11-21(19)33-7)20-13-26-16(2)32(20)6/h8-13H,14H2,1-7H3,(H,28,29)(H,27,30,31)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241237
PNG
(US10479788, Example 79 | US9409907, 79)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O2/c1-30-13-18(12-27-30)16-3-4-19(20(9-16)31-2)28-23-26-11-17-5-7-24-22(21(17)29-23)25-10-15-6-8-32-14-15/h3-5,7,9,11-13,15H,6,8,10,14H2,1-2H3,(H,24,25)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241244
PNG
(US10479788, Example 86 | US9409907, 86)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O2/c1-23(2,32-5)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-4)17-12-27-30(3)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241312
PNG
(US10479788, Example 156 | US9409907, 156)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cnc(NCC3(C)CCOC3)c2n1)-c1nncn1C
Show InChI InChI=1/C24H28N8O2/c1-15-10-25-21(27-12-24(2)7-8-34-13-24)20-17(15)11-26-23(30-20)29-18-6-5-16(9-19(18)33-4)22-31-28-14-32(22)3/h5-6,9-11,14H,7-8,12-13H2,1-4H3,(H,25,27)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241315
PNG
(US10479788, Example 159 | US9409907, 159)
Show SMILES CCOc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N7O2/c1-3-34-21-10-17(19-12-28-31(2)13-19)4-5-20(21)29-24-27-11-18-6-8-26-23(22(18)30-24)32-9-7-25(14-32)15-33-16-25/h4-6,8,10-13H,3,7,9,14-16H2,1-2H3,(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241270
PNG
(US10479788, Example 112 | US9409907, 112)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(O)CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O2/c1-29-12-16(11-26-29)14-3-4-17(18(9-14)31-2)27-21-24-10-15-5-8-23-20(19(15)28-21)25-13-22(30)6-7-22/h3-5,8-12,30H,6-7,13H2,1-2H3,(H,23,25)(H,24,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241216
PNG
(US10479788, Example 58 | US9409907, 58)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-29-13-17(12-26-29)15-5-6-18(19(9-15)30-2)27-22-25-11-16-7-8-23-21(20(16)28-22)24-10-14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241168
PNG
(US10479788, Example 10 | US9409907, 10)
Show SMILES COc1cc(ccc1Nc1cc2c(cccc2cn1)-c1cnn(C)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H24N6O/c1-16-26-14-23(31(16)3)17-8-9-22(24(10-17)32-4)29-25-11-21-18(12-27-25)6-5-7-20(21)19-13-28-30(2)15-19/h5-15H,1-4H3,(H,27,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241313
PNG
(US10479788, Example 157 | US9409907, 157)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cnc(N3CC4(C3)CCOC4)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H26N8O2/c1-15-9-25-22(32-11-24(12-32)6-7-34-13-24)20-17(15)10-26-23(29-20)28-18-5-4-16(8-19(18)33-3)21-30-27-14-31(21)2/h4-5,8-10,14H,6-7,11-13H2,1-3H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241297
PNG
(US10479788, Example 139 | US9409907, 139)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCN(CC3)S(C)(=O)=O)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8O3S/c1-29-15-18(14-26-29)16-4-5-19(20(12-16)34-2)27-23-25-13-17-6-7-24-22(21(17)28-23)30-8-10-31(11-9-30)35(3,32)33/h4-7,12-15H,8-11H2,1-3H3,(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM420976
PNG
(US10479788, Example 64)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC3C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O/c1-15-5-4-10-30(15)22-21-17(8-9-24-22)12-25-23(28-21)27-19-7-6-16(11-20(19)31-3)18-13-26-29(2)14-18/h6-9,11-15H,4-5,10H2,1-3H3,(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241229
PNG
(US10479788, Example 71 | US9409907, 71)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)O)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O2/c1-22(2,30)13-25-20-19-15(7-8-23-20)10-24-21(28-19)27-17-6-5-14(9-18(17)31-4)16-11-26-29(3)12-16/h5-12,30H,13H2,1-4H3,(H,23,25)(H,24,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241238
PNG
(US10479788, Example 80 | US9409907, 80)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(O)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C22H23N7O2/c1-28-12-16(11-25-28)14-3-4-18(19(9-14)31-2)26-22-24-10-15-5-7-23-21(20(15)27-22)29-8-6-17(30)13-29/h3-5,7,9-12,17,30H,6,8,13H2,1-2H3,(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241356
PNG
(US10479788, Example 200 | US9409907, 200)
Show SMILES Clc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)-c1cncnc1
Show InChI InChI=1S/C23H20ClN7O/c24-18-7-15(17-8-25-14-26-9-17)1-2-19(18)29-22-28-10-16-3-5-27-21(20(16)30-22)31-6-4-23(11-31)12-32-13-23/h1-3,5,7-10,14H,4,6,11-13H2,(H,28,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241169
PNG
(US10479788, Example 11 | US9409907, 11)
Show SMILES Cc1ncc(-c2ccc(Nc3cc4c(cccc4cn3)-c3cnn(C)c3)c(Cl)c2)n1C
Show InChI InChI=1S/C24H21ClN6/c1-15-26-13-23(31(15)3)16-7-8-22(21(25)9-16)29-24-10-20-17(11-27-24)5-4-6-19(20)18-12-28-30(2)14-18/h4-14H,1-3H3,(H,27,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241247
PNG
(US10479788, Example 89 | US9409907, 89)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(O)CCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O2/c1-30-13-17(12-27-30)15-4-5-18(19(10-15)32-2)28-22-25-11-16-6-9-24-21(20(16)29-22)26-14-23(31)7-3-8-23/h4-6,9-13,31H,3,7-8,14H2,1-2H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241197
PNG
(US10479788, Example 39 | US9409907, 39)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O/c1-30-14-17(13-26-30)15-7-8-19(20(11-15)31-2)28-23-25-12-16-9-10-24-22(21(16)29-23)27-18-5-3-4-6-18/h7-14,18H,3-6H2,1-2H3,(H,24,27)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241172
PNG
(US10479788, Example 14 | US9409907, 14)
Show SMILES COc1cc(ccc1Nc1cc2c(cccc2cn1)-c1cnn(C)c1)-c1cncn1C
Show InChI InChI=1S/C24H22N6O/c1-29-15-25-13-22(29)16-7-8-21(23(9-16)31-3)28-24-10-20-17(11-26-24)5-4-6-19(20)18-12-27-30(2)14-18/h4-15H,1-3H3,(H,26,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241310
PNG
(US10479788, Example 154 | US9409907, 154)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)C1CCOCC1
Show InChI InChI=1/C25H31N5O3/c1-25(8-12-33-16-25)15-28-23-22-19(5-9-26-23)14-27-24(30-22)29-20-4-3-18(13-21(20)31-2)17-6-10-32-11-7-17/h3-5,9,13-14,17H,6-8,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241287
PNG
(US10479788, Example 129 | US9409907, 129)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C21H23N7O2/c1-13(12-29)25-20-19-15(6-7-22-20)9-23-21(27-19)26-17-5-4-14(8-18(17)30-3)16-10-24-28(2)11-16/h4-11,13,29H,12H2,1-3H3,(H,22,25)(H,23,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241308
PNG
(US10479788, Example 152 | US9409907, 152)
Show SMILES CCn1cc(cn1)-c1ccc(Nc2ncc3ccnc(NCC(C)(C)OC)c3n2)c(OC)c1
Show InChI InChI=1S/C24H29N7O2/c1-6-31-14-18(13-28-31)16-7-8-19(20(11-16)32-4)29-23-26-12-17-9-10-25-22(21(17)30-23)27-15-24(2,3)33-5/h7-14H,6,15H2,1-5H3,(H,25,27)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241295
PNG
(US10479788, Example 137 | US9409907, 137)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCOC(C)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O2/c1-15-13-30(8-9-32-15)22-21-17(6-7-24-22)11-25-23(28-21)27-19-5-4-16(10-20(19)31-3)18-12-26-29(2)14-18/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241285
PNG
(US10479788, Example 127 | US9409907, 127)
Show SMILES COCCNc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C21H23N7O2/c1-28-13-16(12-25-28)14-4-5-17(18(10-14)30-3)26-21-24-11-15-6-7-22-20(19(15)27-21)23-8-9-29-2/h4-7,10-13H,8-9H2,1-3H3,(H,22,23)(H,24,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241279
PNG
(US10479788, Example 121 | US9409907, 121)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC(C3)C#N)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H20N8O/c1-29-13-17(10-26-29)15-3-4-18(19(7-15)31-2)27-22-25-9-16-5-6-24-21(20(16)28-22)30-11-14(8-23)12-30/h3-7,9-10,13-14H,11-12H2,1-2H3,(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241236
PNG
(US10479788, Example 78 | US9409907, 78)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C22H23N7O2/c1-29-12-16(11-25-29)14-3-4-18(19(9-14)30-2)27-22-24-10-15-5-7-23-21(20(15)28-22)26-17-6-8-31-13-17/h3-5,7,9-12,17H,6,8,13H2,1-2H3,(H,23,26)(H,24,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241224
PNG
(US10479788, Example 66 | US9409907, 66)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(CCC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N7O/c1-31-15-19(14-28-31)17-4-5-20(21(12-17)33-2)29-24-27-13-18-6-10-26-23(22(18)30-24)32-11-9-25(16-32)7-3-8-25/h4-6,10,12-15H,3,7-9,11,16H2,1-2H3,(H,27,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241351
PNG
(US10479788, Example 195 | US9409907, 195)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,35-5)16-28-22-21-18(8-9-26-22)15-27-24(30-21)29-19-7-6-17(14-20(19)34-4)23(33)32-12-10-31(3)11-13-32/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,28)(H,27,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241195
PNG
(US10479788, Example 37 | US9409907, 37)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-28-14-17(13-25-28)15-5-6-18(19(11-15)30-2)26-22-24-12-16-7-8-23-21(20(16)27-22)29-9-3-4-10-29/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,24,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241223
PNG
(US10479788, Example 65 | US9409907, 65)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O/c1-14(2)10-24-21-20-16(7-8-23-21)11-25-22(28-20)27-18-6-5-15(9-19(18)30-4)17-12-26-29(3)13-17/h5-9,11-14H,10H2,1-4H3,(H,23,24)(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241286
PNG
(US10479788, Example 128 | US9409907, 128)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)O)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C21H23N7O2/c1-13(29)9-23-20-19-15(6-7-22-20)10-24-21(27-19)26-17-5-4-14(8-18(17)30-3)16-11-25-28(2)12-16/h4-8,10-13,29H,9H2,1-3H3,(H,22,23)(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241226
PNG
(US10479788, Example 68 | US9409907, 68)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241296
PNG
(US10479788, Example 138 | US9409907, 138)
Show SMILES COC1CCN(CC1)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)33-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31-10-7-19(32-2)8-11-31/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241274
PNG
(US10479788, Example 116 | US9409907, 116)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCO3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C22H23N7O2/c1-29-13-16(11-26-29)14-3-4-18(19(9-14)30-2)27-22-25-10-15-5-7-23-21(20(15)28-22)24-12-17-6-8-31-17/h3-5,7,9-11,13,17H,6,8,12H2,1-2H3,(H,23,24)(H,25,27,28)
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Cancer Research Technology Limited

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Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241213
PNG
(US10479788, Example 55 | US9409907, 55)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O/c1-31-15-18(14-27-31)16-8-9-20(21(12-16)32-2)29-24-26-13-17-10-11-25-23(22(17)30-24)28-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,28)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241220
PNG
(US10479788, Example 62 | US9409907, 62)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCN(C)CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N8O/c1-29-8-10-31(11-9-29)22-21-17(6-7-24-22)13-25-23(28-21)27-19-5-4-16(12-20(19)32-3)18-14-26-30(2)15-18/h4-7,12-15H,8-11H2,1-3H3,(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241354
PNG
(US10479788, Example 198 | US9409907, 198)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1)-c1cnn(C)c1CO
Show InChI InChI=1S/C25H31N7O3/c1-15-9-17-11-26-24(31-22(17)23(29-15)27-14-25(2,3)35-6)30-19-8-7-16(10-21(19)34-5)18-12-28-32(4)20(18)13-33/h7-12,33H,13-14H2,1-6H3,(H,27,29)(H,26,30,31)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241234
PNG
(US10479788, Example 76 | US9409907, 76)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241271
PNG
(US10479788, Example 113 | US9409907, 113)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCN(C)CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H28N8O/c1-31-10-7-19(8-11-31)28-23-22-17(6-9-25-23)13-26-24(30-22)29-20-5-4-16(12-21(20)33-3)18-14-27-32(2)15-18/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,25,28)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241214
PNG
(US10479788, Example 56 | US9409907, 56)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(C)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C23H25N7O/c1-15-7-9-30(13-15)22-21-17(6-8-24-22)11-25-23(28-21)27-19-5-4-16(10-20(19)31-3)18-12-26-29(2)14-18/h4-6,8,10-12,14-15H,7,9,13H2,1-3H3,(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241330
PNG
(US10479788, Example 174 | US9409907, 174)
Show SMILES CC(C)(C)CNc1nccc2cnc(Nc3ccc(cc3Cl)N3CCOCC3)nc12
Show InChI InChI=1S/C22H27ClN6O/c1-22(2,3)14-26-20-19-15(6-7-24-20)13-25-21(28-19)27-18-5-4-16(12-17(18)23)29-8-10-30-11-9-29/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,26)(H,25,27,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241225
PNG
(US10479788, Example 67 | US9409907, 67)
Show SMILES COC1CN(C1)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C22H23N7O2/c1-28-11-16(10-25-28)14-4-5-18(19(8-14)31-3)26-22-24-9-15-6-7-23-21(20(15)27-22)29-12-17(13-29)30-2/h4-11,17H,12-13H2,1-3H3,(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241281
PNG
(US10479788, Example 123 | US9409907, 123)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC4(COC4)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N7O2/c1-31-13-19(12-28-31)17-4-5-20(21(10-17)33-2)29-24-27-11-18-6-8-26-23(22(18)30-24)32-9-3-7-25(14-32)15-34-16-25/h4-6,8,10-13H,3,7,9,14-16H2,1-2H3,(H,27,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241276
PNG
(US10479788, Example 118 | US9409907, 118)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCS(=O)(=O)CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O3S/c1-28-14-17(13-25-28)15-3-4-18(19(11-15)32-2)26-22-24-12-16-5-6-23-21(20(16)27-22)29-7-9-33(30,31)10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241284
PNG
(US10479788, Example 126 | US9409907, 126)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCCO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H21N7O2/c1-27-12-15(11-24-27)13-3-4-16(17(9-13)29-2)25-20-23-10-14-5-6-21-19(18(14)26-20)22-7-8-28/h3-6,9-12,28H,7-8H2,1-2H3,(H,21,22)(H,23,25,26)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241165
PNG
(US10479788, Example 7 | US9409907, 7)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(c2)C(C)C)c(OC)c1
Show InChI InChI=1S/C27H29N5O3/c1-17(2)32-14-20(13-29-32)22-7-5-6-19-12-28-26(11-23(19)22)30-24-9-8-18(10-25(24)35-4)27(33)31-15-21(16-31)34-3/h5-14,17,21H,15-16H2,1-4H3,(H,28,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241350
PNG
(US10479788, Example 194 | US9409907, 194)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)C(=O)N(C)C
Show InChI InChI=1S/C22H28N6O3/c1-22(2,31-6)13-25-19-18-15(9-10-23-19)12-24-21(27-18)26-16-8-7-14(11-17(16)30-5)20(29)28(3)4/h7-12H,13H2,1-6H3,(H,23,25)(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241231
PNG
(US10479788, Example 73 | US9409907, 73)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241215
PNG
(US10479788, Example 57 | US9409907, 57)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(F)(F)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H21F2N7O/c1-30-12-16(11-27-30)14-3-4-17(18(9-14)32-2)28-21-26-10-15-5-7-25-20(19(15)29-21)31-8-6-22(23,24)13-31/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,26,28,29)
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Cancer Research Technology Limited

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Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241328
PNG
(US10479788, Example 172 | US9409907, 172)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H39N7O3/c1-29(2,3)19-32-26-25-21(7-10-30-26)18-31-28(34-25)33-23-6-5-22(17-24(23)38-4)35-11-8-20(9-12-35)27(37)36-13-15-39-16-14-36/h5-7,10,17-18,20H,8-9,11-16,19H2,1-4H3,(H,30,32)(H,31,33,34)
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Cancer Research Technology Limited

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Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241171
PNG
(US10479788, Example 13 | US9409907, 13)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2C)c(OC)c1
Show InChI InChI=1S/C26H27N5O3/c1-16-22(13-28-30(16)2)20-7-5-6-18-12-27-25(11-21(18)20)29-23-9-8-17(10-24(23)34-4)26(32)31-14-19(15-31)33-3/h5-13,19H,14-15H2,1-4H3,(H,27,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241160
PNG
(US10479788, Example 2 | US9409907, 2)
Show SMILES COCCn1cc(cn1)-c1cccc2cnc(Nc3ccc(cc3OC)C(=O)N3CC(C3)OC)cc12
Show InChI InChI=1S/C27H29N5O4/c1-34-10-9-32-15-20(14-29-32)22-6-4-5-19-13-28-26(12-23(19)22)30-24-8-7-18(11-25(24)36-3)27(33)31-16-21(17-31)35-2/h4-8,11-15,21H,9-10,16-17H2,1-3H3,(H,28,30)
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Cancer Research Technology Limited

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Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241192
PNG
(US10479788, Example 34 | US9409907, 34)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H20N6O/c1-30-15-19(14-27-30)17-8-9-20(21(12-17)31-2)28-24-26-13-18-10-11-25-22(23(18)29-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241242
PNG
(US10479788, Example 84 | US9409907, 84)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(F)F)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H21F2N7O/c1-21(22,23)12-26-19-18-14(6-7-24-19)9-25-20(29-18)28-16-5-4-13(8-17(16)31-3)15-10-27-30(2)11-15/h4-11H,12H2,1-3H3,(H,24,26)(H,25,28,29)
PDB
MMDB

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n/an/a 14n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241266
PNG
(US10479788, Example 108 | US9409907, 108)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H21N7O/c1-26(2)19-18-14(7-8-21-19)10-22-20(25-18)24-16-6-5-13(9-17(16)28-4)15-11-23-27(3)12-15/h5-12H,1-4H3,(H,22,24,25)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241339
PNG
(US10479788, Example 183 | US9409907, 183)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N7O3S/c1-17-13-18-15-26-24(30-22(18)23(28-17)27-16-25(2,3)4)29-20-8-7-19(14-21(20)35-5)31-9-11-32(12-10-31)36(6,33)34/h7-8,13-15H,9-12,16H2,1-6H3,(H,27,28)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241362
PNG
(US10479788, Example 206 | US9409907, 206)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)C#N
Show InChI InChI=1S/C21H20N6O2/c1-28-17-8-14(9-22)2-3-16(17)25-20-24-10-15-4-6-23-19(18(15)26-20)27-7-5-21(11-27)12-29-13-21/h2-4,6,8,10H,5,7,11-13H2,1H3,(H,24,25,26)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241268
PNG
(US10479788, Example 110 | US9409907, 110)
Show SMILES CNc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C19H19N7O/c1-20-18-17-13(6-7-21-18)9-22-19(25-17)24-15-5-4-12(8-16(15)27-3)14-10-23-26(2)11-14/h4-11H,1-3H3,(H,20,21)(H,22,24,25)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241272
PNG
(US10479788, Example 114 | US9409907, 114)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)(C)CO)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O2/c1-22(2,13-30)28-20-19-15(7-8-23-20)10-24-21(27-19)26-17-6-5-14(9-18(17)31-4)16-11-25-29(3)12-16/h5-12,30H,13H2,1-4H3,(H,23,28)(H,24,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241241
PNG
(US10479788, Example 83 | US9409907, 83)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3(C)CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29N7O/c1-25(10-5-4-6-11-25)31-23-22-18(9-12-26-23)14-27-24(30-22)29-20-8-7-17(13-21(20)33-3)19-15-28-32(2)16-19/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,26,31)(H,27,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241337
PNG
(US10479788, Example 181 | US9409907, 181)
Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c(OC)c1
Show InChI InChI=1S/C27H35N7O2/c1-17-12-20-14-29-26(33-24(20)25(31-17)30-16-27(3,4)5)32-21-9-8-19(13-23(21)36-7)22-15-28-18(2)34(22)10-11-35-6/h8-9,12-15H,10-11,16H2,1-7H3,(H,30,31)(H,29,32,33)
PDB
MMDB

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n/an/a 19.4n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241182
PNG
(US10479788, Example 24 | US9409907, 24)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(OC)c1
Show InChI InChI=1S/C25H25N5O3/c1-29-13-18(12-27-29)20-6-4-5-17-11-26-24(10-21(17)20)28-22-8-7-16(9-23(22)33-3)25(31)30-14-19(15-30)32-2/h4-13,19H,14-15H2,1-3H3,(H,26,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241352
PNG
(US10479788, Example 196 | US9409907, 196)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)OC)c2n1)-c1ncnn1C
Show InChI InChI=1S/C23H28N8O2/c1-14-9-16-11-24-22(30-19(16)20(28-14)25-12-23(2,3)33-6)29-17-8-7-15(10-18(17)32-5)21-26-13-27-31(21)4/h7-11,13H,12H2,1-6H3,(H,25,28)(H,24,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241218
PNG
(US10479788, Example 60 | US9409907, 60)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCCC(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O/c1-15(2)7-9-24-22-21-17(8-10-25-22)12-26-23(29-21)28-19-6-5-16(11-20(19)31-4)18-13-27-30(3)14-18/h5-6,8,10-15H,7,9H2,1-4H3,(H,24,25)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241167
PNG
(US10479788, Example 9 | US9409907, 9)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2ccnn2C)c(OC)c1
Show InChI InChI=1S/C25H25N5O3/c1-29-22(9-10-27-29)19-6-4-5-17-13-26-24(12-20(17)19)28-21-8-7-16(11-23(21)33-3)25(31)30-14-18(15-30)32-2/h4-13,18H,14-15H2,1-3H3,(H,26,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241323
PNG
(US10479788, Example 167 | US9409907, 167)
Show SMILES COc1nc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1cnn(C)n1
Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-13(8-9-22-18)10-23-20(28-17)27-15-7-6-14(26-19(15)31-4)16-11-25-30(3)29-16/h6-11H,12H2,1-5H3,(H,22,24)(H,23,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241334
PNG
(US10479788, Example 178 | US9409907, 178)
Show SMILES COc1cc(Cl)ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1
Show InChI InChI=1S/C20H20ClN5O2/c1-27-16-8-14(21)2-3-15(16)24-19-23-9-13-4-6-22-18(17(13)25-19)26-7-5-20(10-26)11-28-12-20/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,23,24,25)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241243
PNG
(US10479788, Example 85 | US9409907, 85)
Show SMILES COCC(C)(C)CNc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C24H29N7O2/c1-24(2,15-32-4)14-27-22-21-17(8-9-25-22)11-26-23(30-21)29-19-7-6-16(10-20(19)33-5)18-12-28-31(3)13-18/h6-13H,14-15H2,1-5H3,(H,25,27)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241355
PNG
(US10479788, Example 199 | US9409907, 199)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncc3ccnc(N4CCC5(COC5)C4)c3n2)c(Cl)c1
Show InChI InChI=1S/C20H20ClN5O3S/c1-30(27,28)14-2-3-16(15(21)8-14)24-19-23-9-13-4-6-22-18(17(13)25-19)26-7-5-20(10-26)11-29-12-20/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,23,24,25)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241221
PNG
(US10479788, Example 63 | US9409907, 63 | US9409907...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CC(F)(F)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H19F2N7O/c1-29-10-15(9-26-29)13-3-4-16(17(7-13)31-2)27-20-25-8-14-5-6-24-19(18(14)28-20)30-11-21(22,23)12-30/h3-10H,11-12H2,1-2H3,(H,25,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241240
PNG
(US10479788, Example 82 | US9409907, 82)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O/c1-22(2,3)28-20-19-15(8-9-23-20)11-24-21(27-19)26-17-7-6-14(10-18(17)30-5)16-12-25-29(4)13-16/h6-13H,1-5H3,(H,23,28)(H,24,26,27)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241182
PNG
(US10479788, Example 24 | US9409907, 24)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(OC)c1
Show InChI InChI=1S/C25H25N5O3/c1-29-13-18(12-27-29)20-6-4-5-17-11-26-24(10-21(17)20)28-22-8-7-16(9-23(22)33-3)25(31)30-14-19(15-30)32-2/h4-13,19H,14-15H2,1-3H3,(H,26,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241324
PNG
(US10479788, Example 168 | US9409907, 168)
Show SMILES CCc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H29N7/c1-6-16-11-17(19-13-28-31(5)14-19)7-8-20(16)29-23-26-12-18-9-10-25-22(21(18)30-23)27-15-24(2,3)4/h7-14H,6,15H2,1-5H3,(H,25,27)(H,26,29,30)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241166
PNG
(US10479788, Example 8 | US9409907, 8)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cn(C)nc2C)c(OC)c1
Show InChI InChI=1S/C26H27N5O3/c1-16-22(15-30(2)29-16)20-7-5-6-18-12-27-25(11-21(18)20)28-23-9-8-17(10-24(23)34-4)26(32)31-13-19(14-31)33-3/h5-12,15,19H,13-14H2,1-4H3,(H,27,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241183
PNG
(US10479788, Example 25 | US9409907, 25)
Show SMILES COc1cc(ccc1Nc1cc2c(cccc2cn1)-c1cnn(C)c1)C(=O)N(C)C
Show InChI InChI=1S/C23H23N5O2/c1-27(2)23(29)15-8-9-20(21(10-15)30-4)26-22-11-19-16(12-24-22)6-5-7-18(19)17-13-25-28(3)14-17/h5-14H,1-4H3,(H,24,26)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241239
PNG
(US10479788, Example 81 | US9409907, 81)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N(C)C3CCOCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O2/c1-30-15-18(14-27-30)16-4-5-20(21(12-16)32-3)28-24-26-13-17-6-9-25-23(22(17)29-24)31(2)19-7-10-33-11-8-19/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241353
PNG
(US10479788, Example 197 | US9409907, 197)
Show SMILES COC(C)(C)CNc1nc(C)cc2cnc(Nc3ccc(cc3OC(F)F)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C24H27F2N7O2/c1-14-8-16-10-27-23(32-20(16)21(30-14)28-13-24(2,3)34-5)31-18-7-6-15(9-19(18)35-22(25)26)17-11-29-33(4)12-17/h6-12,22H,13H2,1-5H3,(H,28,30)(H,27,31,32)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241357
PNG
(US10479788, Example 201 | US9409907, 201)
Show SMILES Cc1nnc(o1)-c1ccc(Nc2ncc3ccnc(N4CCC5(COC5)C4)c3n2)c(Cl)c1
Show InChI InChI=1S/C22H20ClN7O2/c1-13-28-29-20(32-13)14-2-3-17(16(23)8-14)26-21-25-9-15-4-6-24-19(18(15)27-21)30-7-5-22(10-30)11-31-12-22/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,25,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241217
PNG
(US10479788, Example 59 | US9409907, 59)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N(C)C3CCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O/c1-30-15-18(14-27-30)16-8-9-20(21(12-16)32-3)28-24-26-13-17-10-11-25-23(22(17)29-24)31(2)19-6-4-5-7-19/h8-15,19H,4-7H2,1-3H3,(H,26,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241359
PNG
(US10479788, Example 203 | US9409907, 203)
Show SMILES COC(C)(C)CNc1nccc2cnc(Nc3ccc(F)cc3OC(F)F)nc12
Show InChI InChI=1S/C19H20F3N5O2/c1-19(2,28-3)10-25-16-15-11(6-7-23-16)9-24-18(27-15)26-13-5-4-12(20)8-14(13)29-17(21)22/h4-9,17H,10H2,1-3H3,(H,23,25)(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241325
PNG
(US10479788, Example 169 | US9409907, 169)
Show SMILES Cn1cc(cn1)-c1ccc(Nc2ncc3ccnc(NCC(C)(C)C)c3n2)c(OC(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N7O/c1-22(2,3)13-29-20-19-15(7-8-27-20)10-28-21(32-19)31-17-6-5-14(16-11-30-33(4)12-16)9-18(17)34-23(24,25)26/h5-12H,13H2,1-4H3,(H,27,29)(H,28,31,32)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241175
PNG
(US10479788, Example 17 | US9409907, 17)
Show SMILES Cn1cc(cn1)-c1cccc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc12
Show InChI InChI=1S/C23H19ClN6/c1-29-14-25-12-22(29)15-6-7-21(20(24)8-15)28-23-9-19-16(10-26-23)4-3-5-18(19)17-11-27-30(2)13-17/h3-14H,1-2H3,(H,26,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241228
PNG
(US10479788, Example 70 | US9409907, 70)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29N7O/c1-32-16-20(15-29-32)18-8-9-21(22(12-18)33-2)30-25-28-14-19-10-11-26-24(23(19)31-25)27-13-17-6-4-3-5-7-17/h8-12,14-17H,3-7,13H2,1-2H3,(H,26,27)(H,28,30,31)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241327
PNG
(US10479788, Example 171 | US9409907, 171)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)N1CCCCC1
Show InChI InChI=1S/C24H32N6O/c1-24(2,3)16-27-22-21-17(10-11-25-22)15-26-23(29-21)28-19-9-8-18(14-20(19)31-4)30-12-6-5-7-13-30/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,25,27)(H,26,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241196
PNG
(US10479788, Example 38 | US9409907, 38)
Show SMILES CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/C22H25N7O/c1-5-29(6-2)21-20-16(9-10-23-21)12-24-22(27-20)26-18-8-7-15(11-19(18)30-4)17-13-25-28(3)14-17/h7-14H,5-6H2,1-4H3,(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241358
PNG
(US10479788, Example 202 | US9409907, 202)
Show SMILES COC(C)(C)CNc1nccc2cnc(Nc3ccc(Cl)cc3OC(F)F)nc12
Show InChI InChI=1S/C19H20ClF2N5O2/c1-19(2,28-3)10-25-16-15-11(6-7-23-16)9-24-18(27-15)26-13-5-4-12(20)8-14(13)29-17(21)22/h4-9,17H,10H2,1-3H3,(H,23,25)(H,24,26,27)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241174
PNG
(US10479788, Example 16 | US9409907, 16)
Show SMILES COc1cc(ccc1Nc1cc2c(cccc2cn1)-c1cnn(C)c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H22N6O/c1-29-14-18(12-26-29)16-7-8-22(23(9-16)31-3)28-24-10-21-17(11-25-24)5-4-6-20(21)19-13-27-30(2)15-19/h4-15H,1-3H3,(H,25,28)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241245
PNG
(US10479788, Example 87 | US9409907, 87)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(F)(F)F)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H18F3N7O/c1-30-10-14(9-27-30)12-3-4-15(16(7-12)31-2)28-19-25-8-13-5-6-24-18(17(13)29-19)26-11-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,28,29)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241184
PNG
(US10479788, Example 26 | US9409907, 26)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C22H20ClN5O/c1-27(2)22(29)14-7-8-20(19(23)9-14)26-21-10-18-15(11-24-21)5-4-6-17(18)16-12-25-28(3)13-16/h4-13H,1-3H3,(H,24,26)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241361
PNG
(US10479788, Example 205 | US9409907, 205)
Show SMILES Clc1cc(ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1)C#N
Show InChI InChI=1S/C20H17ClN6O/c21-15-7-13(8-22)1-2-16(15)25-19-24-9-14-3-5-23-18(17(14)26-19)27-6-4-20(10-27)11-28-12-20/h1-3,5,7,9H,4,6,10-12H2,(H,24,25,26)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241294
PNG
(US10479788, Example 136 | US9409907, 136)
Show SMILES COc1cc(ccc1Nc1ncc2cc(nc(N3CCC4(COC4)C3)c2n1)C1CC1)-c1cnn(C)c1
Show InChI InChI=1S/C27H29N7O2/c1-33-13-20(12-29-33)18-5-6-21(23(10-18)35-2)31-26-28-11-19-9-22(17-3-4-17)30-25(24(19)32-26)34-8-7-27(14-34)15-36-16-27/h5-6,9-13,17H,3-4,7-8,14-16H2,1-2H3,(H,28,31,32)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241363
PNG
(US10479788, Example 207 | US9409907, 207)
Show SMILES Clc1ccc(Nc2ncc3ccnc(N4CCC5(COC5)C4)c3n2)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N5O/c20-13-1-2-15(14(21)7-13)24-18-23-8-12-3-5-22-17(16(12)25-18)26-6-4-19(9-26)10-27-11-19/h1-3,5,7-8H,4,6,9-11H2,(H,23,24,25)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241176
PNG
(US10479788, Example 18 | US9409907, 18)
Show SMILES COc1cc(ccc1Nc1cc2c(cccc2cn1)-c1cnn(C)c1)-c1c(C)noc1C
Show InChI InChI=1S/C25H23N5O2/c1-15-25(16(2)32-29-15)17-8-9-22(23(10-17)31-4)28-24-11-21-18(12-26-24)6-5-7-20(21)19-13-27-30(3)14-19/h5-14H,1-4H3,(H,26,28)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241193
PNG
(US10479788, Example 35 | US9409907, 35)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(C3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H20N6O/c1-27-12-16(11-24-27)14-5-6-17(18(9-14)28-2)25-21-23-10-15-7-8-22-19(13-3-4-13)20(15)26-21/h5-13H,3-4H2,1-2H3,(H,23,25,26)
PDB
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241173
PNG
(US10479788, Example 15 | US9409907, 15)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cncnc2)c(OC)c1
Show InChI InChI=1S/C25H23N5O3/c1-32-19-13-30(14-19)25(31)16-6-7-22(23(8-16)33-2)29-24-9-21-17(12-28-24)4-3-5-20(21)18-10-26-15-27-11-18/h3-12,15,19H,13-14H2,1-2H3,(H,28,29)
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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241180
PNG
(US10479788, Example 22 | US9409907, 22)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-29-12-17(11-27-29)19-5-3-4-16-10-26-23(9-20(16)19)28-22-7-6-15(8-21(22)25)24(31)30-13-18(14-30)32-2/h3-12,18H,13-14H2,1-2H3,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241194
PNG
(US10479788, Example 36 | US9409907, 36)
Show SMILES COc1cc(-c2cnn(C)c2)c(C)cc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C23H22N8O/c1-14-7-19(20(32-4)8-18(14)16-10-26-30(2)12-16)28-23-25-9-15-5-6-24-21(22(15)29-23)17-11-27-31(3)13-17/h5-13H,1-4H3,(H,25,28,29)
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n/an/a 100n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241162
PNG
(US10479788, Example 4 | US9409907, 4)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cncn2C)c(OC)c1
Show InChI InChI=1S/C25H25N5O3/c1-29-15-26-12-22(29)19-6-4-5-17-11-27-24(10-20(17)19)28-21-8-7-16(9-23(21)33-3)25(31)30-13-18(14-30)32-2/h4-12,15,18H,13-14H2,1-3H3,(H,27,28)
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n/an/a 112n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241161
PNG
(US10479788, Example 3 | US9409907, 3)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(c2)C2CCN(CC2)C(=O)OC(C)(C)C)c(OC)c1
Show InChI InChI=1S/C34H40N6O5/c1-34(2,3)45-33(42)38-13-11-25(12-14-38)40-19-24(18-36-40)27-8-6-7-23-17-35-31(16-28(23)27)37-29-10-9-22(15-30(29)44-5)32(41)39-20-26(21-39)43-4/h6-10,15-19,25-26H,11-14,20-21H2,1-5H3,(H,35,37)
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n/an/a 125n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241181
PNG
(US10479788, Example 23 | US9409907, 23)
Show SMILES Cn1cc(cn1)-c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C23H19ClN6/c1-29-13-17(11-26-29)15-6-7-22(21(24)8-15)28-23-9-20-16(10-25-23)4-3-5-19(20)18-12-27-30(2)14-18/h3-14H,1-2H3,(H,25,28)
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n/an/a 225n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241163
PNG
(US10479788, Example 5 | US9409907, 5)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2c(C)noc2C)c(OC)c1
Show InChI InChI=1S/C26H26N4O4/c1-15-25(16(2)34-29-15)20-7-5-6-18-12-27-24(11-21(18)20)28-22-9-8-17(10-23(22)33-4)26(31)30-13-19(14-30)32-3/h5-12,19H,13-14H2,1-4H3,(H,27,28)
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n/an/a 261n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM420343
PNG
(US10479788, Example 6)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(OC(F)(F)F)c1
Show InChI InChI=1S/C27H27F3N6O2/c1-35-10-8-20(9-11-35)33-26(37)17-6-7-23(24(12-17)38-27(28,29)30)34-25-13-22-18(14-31-25)4-3-5-21(22)19-15-32-36(2)16-19/h3-7,12-16,20H,8-11H2,1-2H3,(H,31,34)(H,33,37)
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n/an/a 293n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241282
PNG
(US10479788, Example 124 | US9409907, 124)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(F)COC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H22FN7O2/c1-30-10-16(9-27-30)14-3-4-17(18(7-14)31-2)28-21-25-8-15-5-6-24-20(19(15)29-21)26-11-22(23)12-32-13-22/h3-10H,11-13H2,1-2H3,(H,24,26)(H,25,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241269
PNG
(US10479788, Example 111 | US9409907, 111)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3COC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H21N7O2/c1-28-10-15(9-24-28)13-3-4-17(18(7-13)29-2)26-21-23-8-14-5-6-22-20(19(14)27-21)25-16-11-30-12-16/h3-10,16H,11-12H2,1-2H3,(H,22,25)(H,23,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241290
PNG
(US10479788, Example 132 | US9409907, 132)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(CO)COC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N7O3/c1-30-10-17(9-27-30)15-3-4-18(19(7-15)32-2)28-22-25-8-16-5-6-24-21(20(16)29-22)26-11-23(12-31)13-33-14-23/h3-10,31H,11-14H2,1-2H3,(H,24,26)(H,25,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


US Patent US10479788 (2019)

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