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Patent code US9512126

Compile Data Set for Download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259466
PNG
(US9512126, 3)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cccc(F)c1O
Show InChI InChI=1S/C27H25F4N5O3/c1-14-11-15(5-8-17(14)26(39)34-16-6-7-16)22-13-33-25-21(32-10-9-27(29,30)31)12-20(35-36(22)25)24(38)18-3-2-4-19(28)23(18)37/h2-5,8,11-13,16,24,32,37-38H,6-7,9-10H2,1H3,(H,34,39)
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259483
PNG
(US9512126, 24)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cccc(F)c1
Show InChI InChI=1S/C28H25F4N5O/c1-16-12-19(6-9-22(16)27(38)35-21-7-8-21)25-15-34-26-24(33-11-10-28(30,31)32)14-23(36-37(25)26)17(2)18-4-3-5-20(29)13-18/h3-6,9,12-15,21,33H,2,7-8,10-11H2,1H3,(H,35,38)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259467
PNG
(US9512126, 4)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(C)(O)c1cccc(F)c1O
Show InChI InChI=1S/C28H27F4N5O3/c1-15-12-16(6-9-18(15)26(39)35-17-7-8-17)22-14-34-25-21(33-11-10-28(30,31)32)13-23(36-37(22)25)27(2,40)19-4-3-5-20(29)24(19)38/h3-6,9,12-14,17,33,38,40H,7-8,10-11H2,1-2H3,(H,35,39)
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US Patent
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259473
PNG
(US9512126, 11)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cc(F)ccc1F
Show InChI InChI=1S/C27H24F5N5O2/c1-14-10-15(2-6-18(14)26(39)35-17-4-5-17)23-13-34-25-22(33-9-8-27(30,31)32)12-21(36-37(23)25)24(38)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,24,33,38H,4-5,8-9H2,1H3,(H,35,39)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259481
PNG
(US9512126, 22)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cc(F)ccc1O
Show InChI InChI=1S/C28H25F4N5O2/c1-15-11-17(3-7-20(15)27(39)35-19-5-6-19)24-14-34-26-23(33-10-9-28(30,31)32)13-22(36-37(24)26)16(2)21-12-18(29)4-8-25(21)38/h3-4,7-8,11-14,19,33,38H,2,5-6,9-10H2,1H3,(H,35,39)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259482
PNG
(US9512126, 23)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cc(F)ccc1O
Show InChI InChI=1S/C29H27F4N5O2/c1-16-12-17(2-6-20(16)27(40)36-19-4-5-19)23-15-35-26-22(34-11-10-29(31,32)33)14-25(37-38(23)26)28(8-9-28)21-13-18(30)3-7-24(21)39/h2-3,6-7,12-15,19,34,39H,4-5,8-11H2,1H3,(H,36,40)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259476
PNG
(US9512126, 15)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cccc(F)c1F
Show InChI InChI=1S/C28H24F5N5O/c1-15-12-17(6-9-19(15)27(39)36-18-7-8-18)24-14-35-26-23(34-11-10-28(31,32)33)13-22(37-38(24)26)16(2)20-4-3-5-21(29)25(20)30/h3-6,9,12-14,18,34H,2,7-8,10-11H2,1H3,(H,36,39)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259464
PNG
(US9512126, 1)
Show SMILES COc1ccc(cc1F)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C29H27F4N5O2/c1-16-12-19(4-8-21(16)28(39)36-20-6-7-20)25-15-35-27-24(34-11-10-29(31,32)33)14-23(37-38(25)27)17(2)18-5-9-26(40-3)22(30)13-18/h4-5,8-9,12-15,20,34H,2,6-7,10-11H2,1,3H3,(H,36,39)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042928
PNG
(CHEMBL3354567 | US9512126, 13)
Show SMILES COc1ccc(cc1F)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H25F4N5O3/c1-15-11-16(3-7-19(15)27(39)35-18-5-6-18)23-14-34-26-22(33-10-9-28(30,31)32)13-21(36-37(23)26)25(38)17-4-8-24(40-2)20(29)12-17/h3-4,7-8,11-14,18,33H,5-6,9-10H2,1-2H3,(H,35,39)
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Bayer Intellectual Property GmbH

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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259469
PNG
(US9512126, 7)
Show SMILES COc1cccc(c1)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H26F3N5O3/c1-16-12-17(6-9-21(16)27(38)34-19-7-8-19)24-15-33-26-23(32-11-10-28(29,30)31)14-22(35-36(24)26)25(37)18-4-3-5-20(13-18)39-2/h3-6,9,12-15,19,32H,7-8,10-11H2,1-2H3,(H,34,38)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259480
PNG
(US9512126, 21)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cc(F)ccc1F
Show InChI InChI=1S/C27H22F7N5O/c1-14-10-15(2-6-18(14)25(40)37-17-4-5-17)22-13-36-24-21(35-9-8-26(30,31)32)12-23(38-39(22)24)27(33,34)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,35H,4-5,8-9H2,1H3,(H,37,40)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259472
PNG
(US9512126, 10)
Show SMILES COc1ccc(cc1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C29H28F3N5O2/c1-17-14-20(6-11-23(17)28(38)35-21-7-8-21)26-16-34-27-25(33-13-12-29(30,31)32)15-24(36-37(26)27)18(2)19-4-9-22(39-3)10-5-19/h4-6,9-11,14-16,21,33H,2,7-8,12-13H2,1,3H3,(H,35,38)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259475
PNG
(US9512126, 14)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H22F5N5O2/c1-14-11-15(5-8-17(14)26(39)35-16-6-7-16)22-13-34-25-21(33-10-9-27(30,31)32)12-20(36-37(22)25)24(38)18-3-2-4-19(28)23(18)29/h2-5,8,11-13,16,33H,6-7,9-10H2,1H3,(H,35,39)
PDB

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US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259478
PNG
(US9512126, 19)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cc(F)ccc1F
Show InChI InChI=1S/C28H24F5N5O/c1-15-11-17(3-7-20(15)27(39)36-19-5-6-19)25-14-35-26-24(34-10-9-28(31,32)33)13-23(37-38(25)26)16(2)21-12-18(29)4-8-22(21)30/h3-4,7-8,11-14,19,34H,2,5-6,9-10H2,1H3,(H,36,39)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259474
PNG
(US9512126, 12)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=O)c1cc(F)ccc1F
Show InChI InChI=1S/C27H22F5N5O2/c1-14-10-15(2-6-18(14)26(39)35-17-4-5-17)23-13-34-25-22(33-9-8-27(30,31)32)12-21(36-37(23)25)24(38)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,33H,4-5,8-9H2,1H3,(H,35,39)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042931
PNG
(CHEMBL3354995 | US9512126, 16)
Show SMILES COc1ccc(cc1)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H26F5N5O2/c1-16-13-17(3-10-21(16)26(39)36-19-6-7-19)23-15-35-25-22(34-12-11-27(29,30)31)14-24(37-38(23)25)28(32,33)18-4-8-20(40-2)9-5-18/h3-5,8-10,13-15,19,34H,6-7,11-12H2,1-2H3,(H,36,39)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259465
PNG
(US9512126, 2)
Show SMILES COc1ccc(cc1F)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H25F6N5O2/c1-15-11-16(3-7-19(15)26(40)37-18-5-6-18)22-14-36-25-21(35-10-9-27(30,31)32)13-24(38-39(22)25)28(33,34)17-4-8-23(41-2)20(29)12-17/h3-4,7-8,11-14,18,35H,5-6,9-10H2,1-2H3,(H,37,40)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259468
PNG
(US9512126, 5)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)c1cccc(F)c1
Show InChI InChI=1S/C27H24F5N5O/c1-15-11-16(5-8-20(15)26(38)35-19-6-7-19)23-14-34-25-22(33-10-9-27(30,31)32)13-21(36-37(23)25)24(29)17-3-2-4-18(28)12-17/h2-5,8,11-14,19,24,33H,6-7,9-10H2,1H3,(H,35,38)
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Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042932
PNG
(CHEMBL3354996 | US9512126, 17)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cccc(F)c1F
Show InChI InChI=1S/C29H26F5N5O/c1-16-13-17(5-8-19(16)27(40)37-18-6-7-18)23-15-36-26-22(35-12-11-29(32,33)34)14-24(38-39(23)26)28(9-10-28)20-3-2-4-21(30)25(20)31/h2-5,8,13-15,18,35H,6-7,9-12H2,1H3,(H,37,40)
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US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042930
PNG
(CHEMBL3354569 | US9512126, 6)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cccc(F)c1
Show InChI InChI=1S/C27H23F6N5O/c1-15-11-16(5-8-20(15)25(39)36-19-6-7-19)22-14-35-24-21(34-10-9-26(29,30)31)13-23(37-38(22)24)27(32,33)17-3-2-4-18(28)12-17/h2-5,8,11-14,19,34H,6-7,9-10H2,1H3,(H,36,39)
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


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


(Homo sapiens (Human))
BDBM259479
PNG
(US9512126, 20)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cc(F)ccc1F
Show InChI InChI=1S/C29H26F5N5O/c1-16-12-17(2-6-20(16)27(40)37-19-4-5-19)24-15-36-26-23(35-11-10-29(32,33)34)14-25(38-39(24)26)28(8-9-28)21-13-18(30)3-7-22(21)31/h2-3,6-7,12-15,19,35H,4-5,8-11H2,1H3,(H,37,40)
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UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259470
PNG
(US9512126, 8)
Show SMILES COc1cccc(c1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C29H28F3N5O2/c1-17-13-20(7-10-23(17)28(38)35-21-8-9-21)26-16-34-27-25(33-12-11-29(30,31)32)15-24(36-37(26)27)18(2)19-5-4-6-22(14-19)39-3/h4-7,10,13-16,21,33H,2,8-9,11-12H2,1,3H3,(H,35,38)
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US Patent
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259484
PNG
(US9512126, 25)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cccc(F)c1
Show InChI InChI=1S/C29H27F4N5O/c1-17-13-18(5-8-22(17)27(39)36-21-6-7-21)24-16-35-26-23(34-12-11-29(31,32)33)15-25(37-38(24)26)28(9-10-28)19-3-2-4-20(30)14-19/h2-5,8,13-16,21,34H,6-7,9-12H2,1H3,(H,36,39)
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US Patent
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259471
PNG
(US9512126, 9)
Show SMILES COc1ccc(cc1)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H26F3N5O3/c1-16-13-18(5-10-21(16)27(38)34-19-6-7-19)24-15-33-26-23(32-12-11-28(29,30)31)14-22(35-36(24)26)25(37)17-3-8-20(39-2)9-4-17/h3-5,8-10,13-15,19,32H,6-7,11-12H2,1-2H3,(H,34,38)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259477
PNG
(US9512126, 18)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cccc(F)c1F
Show InChI InChI=1S/C27H22F7N5O/c1-14-11-15(5-8-17(14)25(40)37-16-6-7-16)21-13-36-24-20(35-10-9-26(30,31)32)12-22(38-39(21)24)27(33,34)18-3-2-4-19(28)23(18)29/h2-5,8,11-13,16,35H,6-7,9-10H2,1H3,(H,37,40)
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US Patent
n/an/a 1.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...


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