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Patent code US10399974

Compile Data Set for Download or QSAR
Found 57 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))
BDBM412608
PNG
(N2-(2-methoxy-4-(1-methyl-1H-1,2,3-triazol-5-yl)ph...)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1cnnn1C
Show InChI InChI=1S/C23H28N8O/c1-14-9-16-11-24-22(29-20(16)21(27-14)25-13-23(2,3)4)28-17-8-7-15(10-19(17)32-6)18-12-26-30-31(18)5/h7-12H,13H2,1-6H3,(H,25,27)(H,24,28,29)
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n/an/a 0.5n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412621
PNG
(US10399974, Example 15)
Show SMILES Cc1cc2cnc(Nc3ccc(cc3OC(F)F)-c3nncn3C)nc2c(NCC(C)(C)C)n1
Show InChI InChI=1S/C23H26F2N8O/c1-13-8-15-10-26-22(31-18(15)19(29-13)27-11-23(2,3)4)30-16-7-6-14(9-17(16)34-21(24)25)20-32-28-12-33(20)5/h6-10,12,21H,11H2,1-5H3,(H,27,29)(H,26,30,31)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412627
PNG
(US10399974, Example 21)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C
Show InChI InChI=1S/C24H30N8O/c1-14-10-17-12-25-23(29-20(17)21(27-14)26-13-24(3,4)5)28-18-9-8-16(11-19(18)33-7)22-31-30-15(2)32(22)6/h8-12H,13H2,1-7H3,(H,26,27)(H,25,28,29)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412654
PNG
(US10399974, Example 52)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(O)CC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-4-34-20-12-16(22-30-26-14-31(22)3)5-6-19(20)28-24-25-13-17-11-15(2)27-23(21(17)29-24)32-9-7-18(33)8-10-32/h5-6,11-14,18,33H,4,7-10H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412611
PNG
(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1C
Show InChI InChI=1S/C26H30N8O2/c1-4-36-21-12-18(23-32-28-16-33(23)3)5-6-20(21)30-25-27-13-19-11-17(2)29-24(22(19)31-25)34-14-26(15-34)7-9-35-10-8-26/h5-6,11-13,16H,4,7-10,14-15H2,1-3H3,(H,27,30,31)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412609
PNG
(N2-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phe...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC3(C)CCOC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-5-35-20-11-17(23-32-28-15-33(23)4)6-7-19(20)30-24-26-12-18-10-16(2)29-22(21(18)31-24)27-13-25(3)8-9-34-14-25/h6-7,10-12,15H,5,8-9,13-14H2,1-4H3,(H,27,29)(H,26,30,31)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412634
PNG
(US10399974, Example 32)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC3(C)CCOC3)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C26H31N7O2/c1-16-10-19-12-28-25(32-23(19)24(30-16)29-14-26(3)8-9-35-15-26)31-20-7-6-18(11-22(20)34-5)21-13-27-17(2)33(21)4/h6-7,10-13H,8-9,14-15H2,1-5H3,(H,29,30)(H,28,31,32)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412630
PNG
(US10399974, Example 24)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1CC
Show InChI InChI=1S/C27H32N8O2/c1-4-34-17-29-33-24(34)19-6-7-21(22(13-19)37-5-2)31-26-28-14-20-12-18(3)30-25(23(20)32-26)35-15-27(16-35)8-10-36-11-9-27/h6-7,12-14,17H,4-5,8-11,15-16H2,1-3H3,(H,28,31,32)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412652
PNG
(US10399974, Example 50)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4CC4C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H26N8O/c1-4-33-20-9-15(22-30-26-13-31(22)3)5-6-19(20)28-24-25-10-16-7-14(2)27-23(21(16)29-24)32-11-17-8-18(17)12-32/h5-7,9-10,13,17-18H,4,8,11-12H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412646
PNG
(US10399974, Example 44)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCCC4)c2n1)-c1nncn1C
Show InChI InChI=1S/C26H30N8O/c1-4-35-21-12-18(23-32-28-16-33(23)3)7-8-20(21)30-25-27-13-19-11-17(2)29-24(22(19)31-25)34-14-26(15-34)9-5-6-10-26/h7-8,11-13,16H,4-6,9-10,14-15H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412637
PNG
(US10399974, Example 35)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H26N8O/c1-15-8-18-10-28-24(31-22(18)23(29-15)33-13-25(3,12-26)14-33)30-19-7-6-17(9-21(19)34-5)20-11-27-16(2)32(20)4/h6-11H,13-14H2,1-5H3,(H,28,30,31)
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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412638
PNG
(US10399974, Example 36)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(CCO4)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H26N8O2/c1-4-33-19-10-16(21-30-26-14-31(21)3)5-6-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(13-32)7-8-34-24/h5-6,9-11,14H,4,7-8,12-13H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412650
PNG
(US10399974, Example 48)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCOC(C)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-5-33-20-11-17(22-30-26-14-31(22)4)6-7-19(20)28-24-25-12-18-10-15(2)27-23(21(18)29-24)32-8-9-34-16(3)13-32/h6-7,10-12,14,16H,5,8-9,13H2,1-4H3,(H,25,28,29)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412641
PNG
(US10399974, Example 39)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(C3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-5-34-20-11-16(22-30-26-14-31(22)3)6-7-19(20)28-24-25-12-17-10-15(2)27-23(21(17)29-24)32-9-8-18(13-32)33-4/h6-7,10-12,14,18H,5,8-9,13H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412610
PNG
(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H25N9O/c1-5-34-19-9-16(21-31-27-14-32(21)4)6-7-18(19)29-23-26-10-17-8-15(2)28-22(20(17)30-23)33-12-24(3,11-25)13-33/h6-10,14H,5,12-13H2,1-4H3,(H,26,29,30)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412662
PNG
(US10399974, Example 60)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(CC)(C3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-6-25(34-5)13-33(14-25)23-21-18(10-16(3)28-23)12-26-24(30-21)29-19-9-8-17(11-20(19)35-7-2)22-31-27-15-32(22)4/h8-12,15H,6-7,13-14H2,1-5H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412648
PNG
(US10399974, Example 46)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(CC3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-5-35-21-13-17(23-31-27-15-32(23)3)6-7-20(21)29-25-26-14-18-12-16(2)28-24(22(18)30-25)33-10-8-19(34-4)9-11-33/h6-7,12-15,19H,5,8-11H2,1-4H3,(H,26,29,30)
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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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412651
PNG
(US10399974, Example 49)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(C)(CC3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C26H32N8O2/c1-6-36-21-14-18(23-32-28-16-33(23)4)7-8-20(21)30-25-27-15-19-13-17(2)29-24(22(19)31-25)34-11-9-26(3,35-5)10-12-34/h7-8,13-16H,6,9-12H2,1-5H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412615
PNG
(US10399974, Example 8)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC3(O)CCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-4-34-19-11-16(22-31-27-14-32(22)3)6-7-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(33)8-5-9-24/h6-7,10-12,14,33H,4-5,8-9,13H2,1-3H3,(H,26,28)(H,25,29,30)
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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412640
PNG
(US10399974, Example 38)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(C3)C#N)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H25N9O/c1-4-34-20-10-17(22-31-27-14-32(22)3)5-6-19(20)29-24-26-12-18-9-15(2)28-23(21(18)30-24)33-8-7-16(11-25)13-33/h5-6,9-10,12,14,16H,4,7-8,13H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412612
PNG
(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(CC3)C#N)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H27N9O/c1-4-35-21-12-18(23-32-28-15-33(23)3)5-6-20(21)30-25-27-14-19-11-16(2)29-24(22(19)31-25)34-9-7-17(13-26)8-10-34/h5-6,11-12,14-15,17H,4,7-10H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412659
PNG
(US10399974, Example 57)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC3COC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O2/c1-4-33-19-8-16(22-30-26-13-31(22)3)5-6-18(19)28-23-25-10-17-7-14(2)27-21(20(17)29-23)24-9-15-11-32-12-15/h5-8,10,13,15H,4,9,11-12H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412645
PNG
(US10399974, Example 43)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(C)(C3)C#N)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H27N9O/c1-5-35-20-11-17(22-32-28-15-33(22)4)6-7-19(20)30-24-27-12-18-10-16(2)29-23(21(18)31-24)34-9-8-25(3,13-26)14-34/h6-7,10-12,15H,5,8-9,14H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412639
PNG
(US10399974, Example 37)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(C)(O)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-5-34-19-11-16(21-30-26-14-31(21)4)6-7-18(19)28-23-25-12-17-10-15(2)27-22(20(17)29-23)32-9-8-24(3,33)13-32/h6-7,10-12,14,33H,5,8-9,13H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412636
PNG
(US10399974, Example 34)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC(CC3)C#N)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C26H28N8O/c1-16-11-20-14-29-26(32-24(20)25(30-16)34-9-7-18(13-27)8-10-34)31-21-6-5-19(12-23(21)35-4)22-15-28-17(2)33(22)3/h5-6,11-12,14-15,18H,7-10H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412618
PNG
(US10399974, Example 12)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nccn1C
Show InChI InChI=1S/C24H29N7O/c1-15-11-17-13-26-23(30-20(17)21(28-15)27-14-24(2,3)4)29-18-8-7-16(12-19(18)32-6)22-25-9-10-31(22)5/h7-13H,14H2,1-6H3,(H,27,28)(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412624
PNG
(US10399974, Example 18)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1ncc(C)n1C
Show InChI InChI=1S/C25H31N7O/c1-15-10-18-13-27-24(31-21(18)22(29-15)28-14-25(3,4)5)30-19-9-8-17(11-20(19)33-7)23-26-12-16(2)32(23)6/h8-13H,14H2,1-7H3,(H,28,29)(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412661
PNG
(US10399974, Example 59)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC3(CCC3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-5-35-20-12-17(23-32-28-15-33(23)3)7-8-19(20)30-24-26-13-18-11-16(2)29-22(21(18)31-24)27-14-25(34-4)9-6-10-25/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412614
PNG
(N2-(4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-2-ethox...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-31-16(3)33(23)7)9-10-19(20)29-24-26-13-18-11-15(2)28-22(21(18)30-24)27-14-25(4,5)6/h9-13H,8,14H2,1-7H3,(H,27,28)(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412656
PNG
(US10399974, Example 54)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-27-14-33(23)7)9-10-19(20)30-24-26-13-18-11-15(2)28-22(21(18)31-24)29-16(3)25(4,5)6/h9-14,16H,8H2,1-7H3,(H,28,29)(H,26,30,31)/t16-/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412657
PNG
(US10399974, Example 55)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(CCC4)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H28N8O/c1-4-34-20-11-17(22-31-27-15-32(22)3)6-7-19(20)29-24-26-12-18-10-16(2)28-23(21(18)30-24)33-13-25(14-33)8-5-9-25/h6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412663
PNG
(US10399974, Example 61)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)OCC)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-6-34-20-11-17(22-31-27-15-32(22)5)8-9-19(20)29-24-26-12-18-10-16(3)28-23(21(18)30-24)33-13-25(4,14-33)35-7-2/h8-12,15H,6-7,13-14H2,1-5H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412629
PNG
(US10399974, Example 23)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nnc(C)n1C
Show InChI InChI=1S/C27H32N8O2/c1-5-37-22-13-19(24-33-32-18(3)34(24)4)6-7-21(22)30-26-28-14-20-12-17(2)29-25(23(20)31-26)35-15-27(16-35)8-10-36-11-9-27/h6-7,12-14H,5,8-11,15-16H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412616
PNG
(US10399974, Example 9)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(O)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O2/c1-5-33-18-9-15(20-29-25-13-30(20)4)6-7-17(18)27-22-24-10-16-8-14(2)26-21(19(16)28-22)31-11-23(3,32)12-31/h6-10,13,32H,5,11-12H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412643
PNG
(US10399974, Example 41)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(O)(CC)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-5-24(33)12-32(13-24)22-20-17(9-15(3)27-22)11-25-23(29-20)28-18-8-7-16(10-19(18)34-6-2)21-30-26-14-31(21)4/h7-11,14,33H,5-6,12-13H2,1-4H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412622
PNG
(US10399974, Example 16)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnnn1C
Show InChI InChI=1S/C22H27N9O/c1-13-9-15-11-23-21(27-18(15)19(25-13)24-12-22(2,3)4)26-16-8-7-14(10-17(16)32-6)20-28-29-30-31(20)5/h7-11H,12H2,1-6H3,(H,24,25)(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412625
PNG
(US10399974, Example 19)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H29N7O/c1-15-9-18-11-27-24(30-22(18)23(28-15)32-13-25(3,4)14-32)29-19-8-7-17(10-21(19)33-6)20-12-26-16(2)31(20)5/h7-12H,13-14H2,1-6H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412642
PNG
(US10399974, Example 40)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C3)C(F)(F)F)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H23F3N8O/c1-4-35-18-8-14(20-32-28-12-33(20)3)5-6-17(18)30-22-27-9-15-7-13(2)29-21(19(15)31-22)34-10-16(11-34)23(24,25)26/h5-9,12,16H,4,10-11H2,1-3H3,(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412655
PNG
(US10399974, Example 53)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@H](C)C(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-27-14-33(23)7)9-10-19(20)30-24-26-13-18-11-15(2)28-22(21(18)31-24)29-16(3)25(4,5)6/h9-14,16H,8H2,1-7H3,(H,28,29)(H,26,30,31)/t16-/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412613
PNG
(N2-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phe...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NC3CCOCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O2/c1-4-34-20-12-16(23-31-26-14-32(23)3)5-6-19(20)29-24-25-13-17-11-15(2)27-22(21(17)30-24)28-18-7-9-33-10-8-18/h5-6,11-14,18H,4,7-10H2,1-3H3,(H,27,28)(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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412635
PNG
(US10399974, Example 33)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC4(CCOC4)C3)c2n1)-c1ncc(C)n1C
Show InChI InChI=1S/C27H31N7O2/c1-17-11-20-14-29-26(32-23(20)25(30-17)34-9-7-27(15-34)8-10-36-16-27)31-21-6-5-19(12-22(21)35-4)24-28-13-18(2)33(24)3/h5-6,11-14H,7-10,15-16H2,1-4H3,(H,29,31,32)
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n/an/a 5n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412649
PNG
(US10399974, Example 47)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC(C3)OC)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H30N8O2/c1-5-35-21-12-17(23-31-27-15-32(23)3)8-9-20(21)29-25-26-13-18-11-16(2)28-24(22(18)30-25)33-10-6-7-19(14-33)34-4/h8-9,11-13,15,19H,5-7,10,14H2,1-4H3,(H,26,29,30)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412632
PNG
(US10399974, Example 26)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1CC
Show InChI InChI=1S/C25H32N8O/c1-7-33-15-28-32-23(33)17-9-10-19(20(12-17)34-8-2)30-24-26-13-18-11-16(3)29-22(21(18)31-24)27-14-25(4,5)6/h9-13,15H,7-8,14H2,1-6H3,(H,27,29)(H,26,30,31)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412631
PNG
(US10399974, Example 25)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1CC
Show InChI InChI=1S/C25H30N8O/c1-6-32-15-27-31-22(32)17-8-9-19(20(11-17)34-7-2)29-24-26-12-18-10-16(3)28-23(21(18)30-24)33-13-25(4,5)14-33/h8-12,15H,6-7,13-14H2,1-5H3,(H,26,29,30)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412658
PNG
(US10399974, Example 56)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O/c1-4-32-19-12-16(21-29-25-14-30(21)3)7-8-18(19)27-23-24-13-17-11-15(2)26-22(20(17)28-23)31-9-5-6-10-31/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,24,27,28)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412647
PNG
(US10399974, Example 45)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(F)(F)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C22H22F2N8O/c1-4-33-17-8-14(19-30-26-12-31(19)3)5-6-16(17)28-21-25-9-15-7-13(2)27-20(18(15)29-21)32-10-22(23,24)11-32/h5-9,12H,4,10-11H2,1-3H3,(H,25,28,29)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412653
PNG
(US10399974, Example 51)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C3)N(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H29N9O/c1-6-34-20-10-16(22-30-26-14-32(22)5)7-8-19(20)28-24-25-11-17-9-15(2)27-23(21(17)29-24)33-12-18(13-33)31(3)4/h7-11,14,18H,6,12-13H2,1-5H3,(H,25,28,29)
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n/an/a 6n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412633
PNG
(US10399974, Example 31)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC3(O)CC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O2/c1-4-33-18-10-15(21-30-26-13-31(21)3)5-6-17(18)28-22-24-11-16-9-14(2)27-20(19(16)29-22)25-12-23(32)7-8-23/h5-6,9-11,13,32H,4,7-8,12H2,1-3H3,(H,25,27)(H,24,28,29)
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n/an/a 8n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412644
PNG
(US10399974, Example 42)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC3(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O/c1-6-33-19-12-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-13-17-11-15(2)27-22(20(17)29-23)32-10-9-24(32,3)4/h7-8,11-14H,6,9-10H2,1-5H3,(H,25,28,29)
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n/an/a 10n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412626
PNG
(US10399974, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C27H31N7O2/c1-17-11-20-13-29-26(32-24(20)25(30-17)34-15-27(16-34)7-9-36-10-8-27)31-21-6-5-19(12-23(21)35-4)22-14-28-18(2)33(22)3/h5-6,11-14H,7-10,15-16H2,1-4H3,(H,29,31,32)
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n/an/a 12n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412664
PNG
(US10399974, Example 62)
Show SMILES Cc1cc2cnc(Nc3ccc(cc3OC(F)F)-c3nncn3C)nc2c(n1)N1CC(C)(C)C1
Show InChI InChI=1S/C23H24F2N8O/c1-13-7-15-9-26-22(30-18(15)20(28-13)33-10-23(2,3)11-33)29-16-6-5-14(8-17(16)34-21(24)25)19-31-27-12-32(19)4/h5-9,12,21H,10-11H2,1-4H3,(H,26,29,30)
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n/an/a 16n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412619
PNG
(US10399974, Example 13)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1ccnn1C
Show InChI InChI=1S/C24H29N7O/c1-15-11-17-13-25-23(30-21(17)22(28-15)26-14-24(2,3)4)29-18-8-7-16(12-20(18)32-6)19-9-10-27-31(19)5/h7-13H,14H2,1-6H3,(H,26,28)(H,25,29,30)
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n/an/a 18n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412628
PNG
(US10399974, Example 22)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nnc(C)n1C
Show InChI InChI=1S/C25H30N8O/c1-7-34-20-11-17(22-31-30-16(3)32(22)6)8-9-19(20)28-24-26-12-18-10-15(2)27-23(21(18)29-24)33-13-25(4,5)14-33/h8-12H,7,13-14H2,1-6H3,(H,26,28,29)
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n/an/a 20n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412617
PNG
(US10399974, Example 11)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1ccn(C)n1
Show InChI InChI=1S/C24H29N7O/c1-15-11-17-13-25-23(29-21(17)22(27-15)26-14-24(2,3)4)28-19-8-7-16(12-20(19)32-6)18-9-10-31(5)30-18/h7-13H,14H2,1-6H3,(H,26,27)(H,25,28,29)
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n/an/a 36n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412623
PNG
(US10399974, Example 17)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1oc(C)nc1C
Show InChI InChI=1S/C25H30N6O2/c1-14-10-18-12-26-24(31-21(18)23(28-14)27-13-25(4,5)6)30-19-9-8-17(11-20(19)32-7)22-15(2)29-16(3)33-22/h8-12H,13H2,1-7H3,(H,27,28)(H,26,30,31)
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n/an/a 43n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412620
PNG
(US10399974, Example 14)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1ncco1
Show InChI InChI=1S/C23H26N6O2/c1-14-10-16-12-25-22(29-19(16)20(27-14)26-13-23(2,3)4)28-17-7-6-15(11-18(17)30-5)21-24-8-9-31-21/h6-12H,13H2,1-5H3,(H,26,27)(H,25,28,29)
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n/an/a 59n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412660
PNG
(US10399974, Example 58)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NC3CN(C)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H27N9O/c1-5-33-19-9-15(22-30-25-13-32(22)4)6-7-18(19)28-23-24-10-16-8-14(2)26-21(20(16)29-23)27-17-11-31(3)12-17/h6-10,13,17H,5,11-12H2,1-4H3,(H,26,27)(H,24,28,29)
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n/an/a 518n/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 US10399974 (2019)


BindingDB Entry DOI: 10.7270/Q2K076NJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%