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Patent code US11046688

Compile Data Set for Download or QSAR

Found 205 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241341
PNG
(US10479788, Example 185 | US11046688, Example 185 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1CO
Show InChI InChI=1S/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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241345
PNG
(US10479788, Example 189 | US11046688, Example 189 ...)
Show SMILES CCOc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1nncn1C
Show InChI InChI=1S/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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241267
PNG
(US10479788, Example 109 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241303
PNG
(US10479788, Example 147 | US11046688, Example 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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241360
PNG
(US10479788, Example 204 | US11046688, Example 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)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241328
PNG
(US10479788, Example 172 | US11046688, Example 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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241343
PNG
(US10479788, Example 187 | US11046688, Example 187 ...)
Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2ncc3ccnc(NCC4(C)CCOC4)c3n2)c(OC)c1
Show InChI InChI=1S/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)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241205
PNG
(US11046688, Example 47 | US9409907, 47)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cncn1C
Show InChI InChI=1S/C23H27N7O/c1-23(2,3)13-27-21-20-16(8-9-25-21)11-26-22(29-20)28-17-7-6-15(10-19(17)31-5)18-12-24-14-30(18)4/h6-12,14H,13H2,1-5H3,(H,25,27)(H,26,28,29)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241307
PNG
(US10479788, Example 151 | US11046688, Example 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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241344
PNG
(US10479788, Example 188 | US11046688, Example 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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241331
PNG
(US10479788, Example 175 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241347
PNG
(US10479788, Example 191 | US11046688, Example 191 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cn(C)nc1C
Show InChI InChI=1S/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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241301
PNG
(US10479788, Example 145 | US11046688, Example 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)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241319
PNG
(US11046688, Example 163 | US9409907, 163)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1)-c1nnnn1C
Show InChI InChI=1S/C21H25N9O2/c1-21(2,32-5)12-24-18-17-14(8-9-22-18)11-23-20(26-17)25-15-7-6-13(10-16(15)31-4)19-27-28-29-30(19)3/h6-11H,12H2,1-5H3,(H,22,24)(H,23,25,26)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241340
PNG
(US10479788, Example 184 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241200
PNG
(US11046688, Example 42 | US9409907, 42)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(CCN(C)C)c1
Show InChI InChI=1S/C27H34N8O/c1-34(2)13-14-35-18-21(17-30-35)19-9-10-23(24(15-19)36-3)32-27-29-16-20-11-12-28-26(25(20)33-27)31-22-7-5-4-6-8-22/h9-12,15-18,22H,4-8,13-14H2,1-3H3,(H,28,31)(H,29,32,33)
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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241219
PNG
(US10479788, Example 61 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241275
PNG
(US10479788, Example 117 | US11046688, Example 117 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241314
PNG
(US10479788, Example 158 | US11046688, Example 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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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241202
PNG
(US11046688, Example 44 | US9409907, 44)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCOCC3)c2n1)-c1cnn(CCO)c1
Show InChI InChI=1S/C24H27N7O3/c1-33-21-12-16(18-14-27-31(15-18)8-9-32)2-3-20(21)29-24-26-13-17-4-7-25-23(22(17)30-24)28-19-5-10-34-11-6-19/h2-4,7,12-15,19,32H,5-6,8-11H2,1H3,(H,25,28)(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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241227
PNG
(US10479788, Example 69 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241318
PNG
(US10479788, Example 162 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241332
PNG
(US10479788, Example 176 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241336
PNG
(US10479788, Example 180 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241246
PNG
(US10479788, Example 88 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241280
PNG
(US10479788, Example 122 | US11046688, Example 122 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC4(CCOC4)C3)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)32-9-6-25(15-32)7-10-34-16-25/h3-5,8,11-14H,6-7,9-10,15-16H2,1-2H3,(H,27,29,30)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241321
PNG
(US10479788, Example 165 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241346
PNG
(US10479788, Example 190 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM507755
PNG
((S)-N2-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phen...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@]3(C)CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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)/t24-/m0/s1
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM507756
PNG
((R)-N2-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phen...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@@]3(C)CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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)/t24-/m1/s1
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241291
PNG
(US10479788, Example 133 | US11046688, Example 133 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCC(CO)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241338
PNG
(US10479788, Example 182 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241277
PNG
(US10479788, Example 119 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241283
PNG
(US10479788, Example 125 | US11046688, Example 125 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CCOC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241304
PNG
(US10479788, Example 148 | US11046688, Example 148 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM421055
PNG
(US10479788, Example 166 | US11046688, 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241199
PNG
(US11046688, Example 41 | US9409907, 41)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(CCN2CCN(C)CC2)c1
Show InChI InChI=1S/C30H39N9O/c1-37-12-14-38(15-13-37)16-17-39-21-24(20-33-39)22-8-9-26(27(18-22)40-2)35-30-32-19-23-10-11-31-29(28(23)36-30)34-25-6-4-3-5-7-25/h8-11,18-21,25H,3-7,12-17H2,1-2H3,(H,31,34)(H,32,35,36)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241306
PNG
(US10479788, Example 150 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241273
PNG
(US10479788, Example 115 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241278
PNG
(US10479788, Example 120 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241316
PNG
(US10479788, Example 160 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241320
PNG
(US10479788, Example 164 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241198
PNG
(US11046688, Example 40 | US9409907, 40)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C23H22N8O/c1-14-25-12-19(31(14)3)15-5-6-18(20(9-15)32-4)28-23-26-10-16-7-8-24-21(22(16)29-23)17-11-27-30(2)13-17/h5-13H,1-4H3,(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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241329
PNG
(US10479788, Example 173 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241288
PNG
(US10479788, Example 130 | US11046688, Example 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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241302
PNG
(US10479788, Example 146 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241233
PNG
(US10479788, Example 75 | US11046688, Example 75 | ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC(C)C3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241289
PNG
(US10479788, Example 131 | US11046688, Example 131 ...)
Show SMILES COCC(CO)Nc1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show InChI InChI=1S/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)
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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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241349
PNG
(US10479788, Example 193 | US11046688, Example 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 US11046688 (2021)

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


(Homo sapiens (Human))
BDBM241292
PNG
(US10479788, Example 134 | US11046688, Example 134 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC(CO)C3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/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 US11046688 (2021)

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