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Compile Data Set for Download or QSAR

Found 1442 hits from Cancer Research Technology Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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)

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)

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


(Homo sapiens (Human))
BDBM230938
PNG
(US10188642, Example 64 | US9334286, 64)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1ncnn1C
Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)31-22-8-7-18(10-23(22)35-4)25-28-16-30-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,31)
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n/an/a 1n/an/an/an/a7.025



Cancer Research Technology Limited

US Patent


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


US Patent US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230976
PNG
(US10188642, Example 103 | US9334286, 103)
Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230978
PNG
(US10188642, Example 105 | US9334286, 105)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230979
PNG
(US10188642, Example 106 | US9334286, 106)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM323651
PNG
(US10188642, Example 41)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cncn1C
Show InChI InChI=1S/C27H28N6O2/c1-27(2,34)16-33-15-22(13-30-33)18-5-6-20-12-29-26(11-21(20)9-18)31-23-8-7-19(10-25(23)35-4)24-14-28-17-32(24)3/h5-15,17,34H,16H2,1-4H3,(H,29,31)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230937
PNG
(US10188642, Example 63 | US9334286, 63)
Show SMILES COCc1ncc(-c2ccc(Nc3cc4cc(ccc4cn3)-c3cnn(CC(C)(C)O)c3)c(OC)c2)n1C
Show InChI InChI=1S/C29H32N6O3/c1-29(2,36)18-35-16-23(14-32-35)19-6-7-21-13-30-27(12-22(21)10-19)33-24-9-8-20(11-26(24)38-5)25-15-31-28(17-37-4)34(25)3/h6-16,36H,17-18H2,1-5H3,(H,30,33)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230938
PNG
(US10188642, Example 64 | US9334286, 64)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1ncnn1C
Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)31-22-8-7-18(10-23(22)35-4)25-28-16-30-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,31)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230969
PNG
(US10188642, Example 95 | US9334286, 95)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2
Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(H,31,33)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303716
PNG
((3S)-N-[5-[2-(4- chlorophenyyl) ethyl]isoxazol- 3-...)
Show SMILES Clc1ccc(CCc2cc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)no2)cc1
Show InChI InChI=1/C28H31ClN4O3/c29-23-9-4-20(5-10-23)8-13-25-17-26(31-36-25)30-28(35)22-16-27(34)33(19-22)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,22H,1-3,8,13-16,18-19H2,(H,30,31,35)/t22-/s2
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
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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Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM328995
PNG
(1137478-47-7 | US9663503, Compound Y-154)
Show SMILES COCC#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1
Show InChI InChI=1/C19H21N7O2/c1-27-5-2-3-14-9-24-18(26-19-13-22-15(8-20)10-25-19)7-17(14)23-12-16-11-21-4-6-28-16/h7,9-10,13,16,21H,4-6,11-12H2,1H3,(H2,23,24,25,26)/t16-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...


US Patent US9663503 (2017)


Article DOI: 10.1016/j.bmcl.2006.03.055
BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM229974
PNG
(US10188642, Example 2 | US9334286, 2)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H28N6O/c1-18-29-15-26(33(18)2)21-8-9-25(27(11-21)35-3)32-28-12-23-10-20(6-7-22(23)13-30-28)24-14-31-34(17-24)16-19-4-5-19/h6-15,17,19H,4-5,16H2,1-3H3,(H,30,32)
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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 US10188642 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2D50Q2N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303779
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCC5(COC5)C4)cc3)s2)cc1
Show InChI InChI=1/C28H30ClN5O3S.H2S/c29-22-6-1-19(2-7-22)5-10-24-31-32-27(38-24)30-26(36)21-13-25(35)34(15-21)23-8-3-20(4-9-23)14-33-12-11-28(16-33)17-37-18-28;/h1-4,6-9,21H,5,10-18H2,(H,30,32,36);1H2/t21-;/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303780
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CC5(COC5)C4)cc3)s2)cc1
Show InChI InChI=1/C27H28ClN5O3S.H2S/c28-21-6-1-18(2-7-21)5-10-23-30-31-26(37-23)29-25(35)20-11-24(34)33(13-20)22-8-3-19(4-9-22)12-32-14-27(15-32)16-36-17-27;/h1-4,6-9,20H,5,10-17H2,(H,29,31,35);1H2/t20-;/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303657
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1CCOC1
Show InChI InChI=1/C27H30ClN5O3S/c1-32(23-12-13-36-17-23)15-19-4-9-22(10-5-19)33-16-20(14-25(33)34)26(35)29-27-31-30-24(37-27)11-6-18-2-7-21(28)8-3-18/h2-5,7-10,20,23H,6,11-17H2,1H3,(H,29,31,35)/t20-,23?/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303658
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1COC1
Show InChI InChI=1/C26H28ClN5O3S/c1-31(22-15-35-16-22)13-18-4-9-21(10-5-18)32-14-19(12-24(32)33)25(34)28-26-30-29-23(36-26)11-6-17-2-7-20(27)8-3-17/h2-5,7-10,19,22H,6,11-16H2,1H3,(H,28,30,34)/t19-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303659
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1/C26H28ClN5O3S/c27-21-6-1-18(2-7-21)5-10-23-29-30-26(36-23)28-25(34)20-15-24(33)32(17-20)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,20H,5,10-17H2,(H,28,30,34)/t20-/s2
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303660
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1CCOCC1
Show InChI InChI=1/C28H32ClN5O3S/c1-33(23-12-14-37-15-13-23)17-20-4-9-24(10-5-20)34-18-21(16-26(34)35)27(36)30-28-32-31-25(38-28)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,21,23H,6,11-18H2,1H3,(H,30,32,36)/t21-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303661
PNG
((3S)-1-[4-(azepan-1- ylmethyl)phenyl]- N-[5-[2- (4...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCCC4)cc3)s2)cc1
Show InChI InChI=1/C28H32ClN5O2S/c29-23-10-5-20(6-11-23)9-14-25-31-32-28(37-25)30-27(36)22-17-26(35)34(19-22)24-12-7-21(8-13-24)18-33-15-3-1-2-4-16-33/h5-8,10-13,22H,1-4,9,14-19H2,(H,30,32,36)/t22-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303662
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2C[C@H](CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)/t22-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303663
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)s2)cc1
Show InChI InChI=1/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)/t21-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303664
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES COCCN(C)Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)/t20-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM303698
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(morpholino-...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q27S7QV8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241341
PNG
(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)
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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 US9409907 (2016)


BindingDB Entry DOI: 10.7270/Q2C24VB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241345
PNG
(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)
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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 US9409907 (2016)


BindingDB Entry DOI: 10.7270/Q2C24VB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230969
PNG
(US10188642, Example 95 | US9334286, 95)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2
Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(H,31,33)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230976
PNG
(US10188642, Example 103 | US9334286, 103)
Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230978
PNG
(US10188642, Example 105 | US9334286, 105)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230979
PNG
(US10188642, Example 106 | US9334286, 106)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM229974
PNG
(US10188642, Example 2 | US9334286, 2)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H28N6O/c1-18-29-15-26(33(18)2)21-8-9-25(27(11-21)35-3)32-28-12-23-10-20(6-7-22(23)13-30-28)24-14-31-34(17-24)16-19-4-5-19/h6-15,17,19H,4-5,16H2,1-3H3,(H,30,32)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230915
PNG
(US9334286, 41)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)30-22-8-7-18(10-23(22)35-4)25-31-28-16-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,30)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230937
PNG
(US10188642, Example 63 | US9334286, 63)
Show SMILES COCc1ncc(-c2ccc(Nc3cc4cc(ccc4cn3)-c3cnn(CC(C)(C)O)c3)c(OC)c2)n1C
Show InChI InChI=1S/C29H32N6O3/c1-29(2,36)18-35-16-23(14-32-35)19-6-7-21-13-30-27(12-22(21)10-19)33-24-9-8-20(11-26(24)38-5)25-15-31-28(17-37-4)34(25)3/h6-16,36H,17-18H2,1-5H3,(H,30,33)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM328993
PNG
(5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1
Show InChI InChI=1/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/s2
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Cancer Research Technology Limited

US Patent


Assay Description
CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...


US Patent US9663503 (2017)


Article DOI: 10.1016/j.bmcl.2006.03.055
BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230943
PNG
(US10188642, Example 69 | US9334286, 69)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1CC(C)(C)O
Show InChI InChI=1S/C31H36N6O3/c1-20-32-16-27(37(20)19-31(4,5)39)22-9-10-26(28(12-22)40-6)35-29-13-24-11-21(7-8-23(24)14-33-29)25-15-34-36(17-25)18-30(2,3)38/h7-17,38-39H,18-19H2,1-6H3,(H,33,35)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230944
PNG
(US9334286, 70)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nnc2CN(C)CCn12
Show InChI InChI=1S/C29H32N8O2/c1-29(2,38)18-36-16-23(15-31-36)19-5-6-21-14-30-26(13-22(21)11-19)32-24-8-7-20(12-25(24)39-4)28-34-33-27-17-35(3)9-10-37(27)28/h5-8,11-16,38H,9-10,17-18H2,1-4H3,(H,30,32)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230965
PNG
(US10188642, Example 91 | US9334286, 91)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC(F)F)c1
Show InChI InChI=1S/C28H29F2N5O4/c1-28(2,37)16-35-13-21(12-32-35)17-4-5-19-11-31-25(10-20(19)8-17)33-23-7-6-18(9-24(23)39-27(29)30)26(36)34-14-22(15-34)38-3/h4-13,22,27,37H,14-16H2,1-3H3,(H,31,33)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230966
PNG
(US10188642, Example 92 | US9334286, 92)
Show SMILES CCOc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC(C1)OC
Show InChI InChI=1S/C29H33N5O4/c1-5-38-26-11-20(28(35)33-16-24(17-33)37-4)8-9-25(26)32-27-12-22-10-19(6-7-21(22)13-30-27)23-14-31-34(15-23)18-29(2,3)36/h6-15,24,36H,5,16-18H2,1-4H3,(H,30,32)
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n/an/a 2n/an/an/an/a7.025



Cancer Research Technology Limited

US Patent


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


US Patent US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230968
PNG
(US10188642, Example 94 | US9334286, 94)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CCC(CC1)C#N
Show InChI InChI=1S/C30H32N6O3/c1-30(2,38)19-36-18-25(17-33-36)21-4-5-23-16-32-28(14-24(23)12-21)34-26-7-6-22(13-27(26)39-3)29(37)35-10-8-20(15-31)9-11-35/h4-7,12-14,16-18,20,38H,8-11,19H2,1-3H3,(H,32,34)
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n/an/a 2n/an/an/an/a7.025



Cancer Research Technology Limited

US Patent


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


US Patent US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230970
PNG
(US10188642, Example 96 | US9334286, 96)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cn(CC(C)(C)O)nn2)c(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-15-23(30-31-33)17-5-6-19-12-28-25(11-20(19)9-17)29-22-8-7-18(10-24(22)37-4)26(34)32-13-21(14-32)36-3/h5-12,15,21,35H,13-14,16H2,1-4H3,(H,28,29)
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n/an/a 2n/an/an/an/a7.025



Cancer Research Technology Limited

US Patent


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


US Patent US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230975
PNG
(US10188642, Example 102 | US9334286, 102)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-24(33(17)4)18-6-9-22(25(10-18)36-5)32-26-11-23-19(12-29-26)7-8-21(31-23)20-13-30-34(15-20)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,32)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230977
PNG
(US10188642, Example 104 | US9334286, 104)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3nc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1
Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-13-19(12-29-33)21-7-6-18-11-28-25(10-23(18)30-21)31-22-8-5-17(9-24(22)37-4)26(34)32-14-20(15-32)36-3/h5-13,20,35H,14-16H2,1-4H3,(H,28,31)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM229973
PNG
(US9334286, 1)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CCOCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C30H32N6O2/c1-20-31-17-28(35(20)2)23-6-7-27(29(13-23)37-3)34-30-14-25-12-22(4-5-24(25)15-32-30)26-16-33-36(19-26)18-21-8-10-38-11-9-21/h4-7,12-17,19,21H,8-11,18H2,1-3H3,(H,32,34)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM229975
PNG
(US10188642, Example 3 | US9334286, 3)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(F)F)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C26H24F2N6O/c1-16-29-13-23(33(16)2)18-6-7-22(24(9-18)35-3)32-26-10-20-8-17(4-5-19(20)11-30-26)21-12-31-34(14-21)15-25(27)28/h4-14,25H,15H2,1-3H3,(H,30,32)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230885
PNG
(US10188642, Example 11 | US9334286, 11)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1ccc(C)nc1)-c1cnc(C)n1C
Show InChI InChI=1S/C27H25N5O/c1-17-5-6-21(14-28-17)19-7-8-22-15-30-27(13-23(22)11-19)31-24-10-9-20(12-26(24)33-4)25-16-29-18(2)32(25)3/h5-16H,1-4H3,(H,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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230894
PNG
(US10188642, Example 20 | US9334286, 20)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1C)-c1cnc(C)n1C
Show InChI InChI=1S/C26H26N6O/c1-16-22(14-29-32(16)4)18-6-7-20-13-28-26(12-21(20)10-18)30-23-9-8-19(11-25(23)33-5)24-15-27-17(2)31(24)3/h6-15H,1-5H3,(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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230897
PNG
(US10188642, Example 23 | US9334286, 23)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H24N6O/c1-16-26-14-23(31(16)3)18-7-8-22(24(10-18)32-4)29-25-11-20-9-17(5-6-19(20)12-27-25)21-13-28-30(2)15-21/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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230898
PNG
(US10188642, Example 24 | US9334286, 24)
Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)c(OC)c1
Show InChI InChI=1S/C25H25N5O3/c1-29-13-20(12-27-29)16-4-5-18-11-26-24(10-19(18)8-16)28-22-7-6-17(9-23(22)33-3)25(31)30-14-21(15-30)32-2/h4-13,21H,14-15H2,1-3H3,(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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230903
PNG
(US10188642, Example 29 | US9334286, 29)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H30N6O2/c1-18-29-15-25(33(18)4)20-8-9-24(26(11-20)36-5)32-27-12-22-10-19(6-7-21(22)13-30-27)23-14-31-34(16-23)17-28(2,3)35/h6-16,35H,17H2,1-5H3,(H,30,32)
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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 US9334286 (2016)


BindingDB Entry DOI: 10.7270/Q2GB22X3
More data for this
Ligand-Target Pair
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