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Compile Data Set for Download or QSAR

Found 953 hits with Last Name = 'klar' and Initial = 'u'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236661
PNG
(US9388140, 2)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccncc1
Show InChI InChI=1S/C26H24F3N5O/c1-16-12-20(4-5-21(16)25(35)33-19-2-3-19)34-15-32-24-22(31-11-8-26(27,28)29)13-18(14-23(24)34)17-6-9-30-10-7-17/h4-7,9-10,12-15,19,31H,2-3,8,11H2,1H3,(H,33,35)
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n/an/a 0.200n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
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 |w:29.33|
Show InChI InChI=1/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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n/an/a 0.200n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236713
PNG
(US9388140, 54)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C27H25F3N4O3/c1-16-12-18(8-9-20(16)26(36)33-17-6-7-17)34-15-32-25-21(31-11-10-27(28,29)30)13-19(14-22(25)34)37-24-5-3-2-4-23(24)35/h2-5,8-9,12-15,17,31,35H,6-7,10-11H2,1H3,(H,33,36)
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n/an/a 0.200n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236684
PNG
(US9388140, 25)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C30H30F2N4O3/c1-18-13-21(7-8-23(18)30(37)35-20-5-6-20)36-17-34-29-25(33-16-19-9-11-38-12-10-19)14-22(15-26(29)36)39-27-4-2-3-24(31)28(27)32/h2-4,7-8,13-15,17,19-20,33H,5-6,9-12,16H2,1H3,(H,35,37)
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n/an/a 0.200n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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 |w:29.33|
Show InChI InChI=1/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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n/an/a 0.300n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.300n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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 |w:29.34,29.33|
Show InChI InChI=1/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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n/an/a 0.300n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236715
PNG
(US9388140, 56)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C25H23F3N4O3/c1-15-11-16(7-8-18(15)24(34)29-2)32-14-31-23-19(30-10-9-25(26,27)28)12-17(13-20(23)32)35-22-6-4-3-5-21(22)33/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34)
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n/an/a 0.300n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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)
PDB

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US Patent
n/an/a 0.400n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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)
PDB

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US Patent
n/an/a 0.400n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236697
PNG
(US9388140, 38)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(cc4)C(=O)NC4CC4)c3c2)cc1F
Show InChI InChI=1S/C27H24F4N4O3/c1-37-24-9-8-19(12-21(24)28)38-20-13-22(32-11-10-27(29,30)31)25-23(14-20)35(15-33-25)18-6-2-16(3-7-18)26(36)34-17-4-5-17/h2-3,6-9,12-15,17,32H,4-5,10-11H2,1H3,(H,34,36)
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n/an/a 0.400n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236673
PNG
(BDBM236695 | US9388140, 14)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C27H23F5N4O2/c1-15-11-17(7-8-19(15)26(37)35-16-5-6-16)36-14-34-25-21(33-10-9-27(30,31)32)12-18(13-22(25)36)38-23-4-2-3-20(28)24(23)29/h2-4,7-8,11-14,16,33H,5-6,9-10H2,1H3,(H,35,37)
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n/an/a 0.400n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236747
PNG
(US9388140, 91)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3O)cc12
Show InChI InChI=1S/C27H24F4N4O3/c1-15-11-17(7-8-19(15)26(37)34-16-5-6-16)35-14-33-24-21(32-10-9-27(29,30)31)12-18(13-22(24)35)38-23-4-2-3-20(28)25(23)36/h2-4,7-8,11-14,16,32,36H,5-6,9-10H2,1H3,(H,34,37)
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n/an/a 0.400n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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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n/an/a 0.400n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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)
PDB

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n/an/a 0.400n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236668
PNG
(US9388140, 9)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C30H31FN4O3/c1-19-13-23(7-8-26(19)30(36)34-22-5-6-22)35-18-33-29-27(32-17-20-9-11-37-12-10-20)15-25(16-28(29)35)38-24-4-2-3-21(31)14-24/h2-4,7-8,13-16,18,20,22,32H,5-6,9-12,17H2,1H3,(H,34,36)
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n/an/a 0.400n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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)
PDB

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US Patent
n/an/a 0.400n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236683
PNG
(BDBM236703 | US9388140, 24)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C31H33FN4O4/c1-19-13-22(5-7-25(19)31(37)35-21-3-4-21)36-18-34-30-27(33-17-20-9-11-39-12-10-20)15-24(16-28(30)36)40-23-6-8-29(38-2)26(32)14-23/h5-8,13-16,18,20-21,33H,3-4,9-12,17H2,1-2H3,(H,35,37)
PDB
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n/an/a 0.400n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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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n/an/a 0.5n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.5n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236696
PNG
(US9388140, 37)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3)cc12
Show InChI InChI=1S/C27H25F3N4O2/c1-17-13-19(9-10-22(17)26(35)33-18-7-8-18)34-16-32-25-23(31-12-11-27(28,29)30)14-21(15-24(25)34)36-20-5-3-2-4-6-20/h2-6,9-10,13-16,18,31H,7-8,11-12H2,1H3,(H,33,35)
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n/an/a 0.5n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236673
PNG
(BDBM236695 | US9388140, 14)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C27H23F5N4O2/c1-15-11-17(7-8-19(15)26(37)35-16-5-6-16)36-14-34-25-21(33-10-9-27(30,31)32)12-18(13-22(25)36)38-23-4-2-3-20(28)24(23)29/h2-4,7-8,11-14,16,33H,5-6,9-10H2,1H3,(H,35,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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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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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236675
PNG
(US9388140, 16)
Show SMILES Cc1ccc(F)cc1Oc1cc(NCC2CCOCC2)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H33FN4O3/c1-19-3-4-22(32)14-29(19)39-25-15-27(33-17-21-9-11-38-12-10-21)30-28(16-25)36(18-34-30)24-7-8-26(20(2)13-24)31(37)35-23-5-6-23/h3-4,7-8,13-16,18,21,23,33H,5-6,9-12,17H2,1-2H3,(H,35,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236674
PNG
(US9388140, 15)
Show SMILES Cc1cc(F)cc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1
Show InChI InChI=1S/C31H33FN4O3/c1-19-11-22(32)14-25(12-19)39-26-15-28(33-17-21-7-9-38-10-8-21)30-29(16-26)36(18-34-30)24-5-6-27(20(2)13-24)31(37)35-23-3-4-23/h5-6,11-16,18,21,23,33H,3-4,7-10,17H2,1-2H3,(H,35,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218770
PNG
(US9296757, 92)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(CCN(C)C)Cc1ccccc1 |w:21.30|
Show InChI InChI=1/C30H32N6O3S2/c1-35(2)11-12-36(16-18-7-5-4-6-8-18)29(37)19-9-10-20-24(13-19)40-28-26(20)27(31-17-32-28)33-21-15-25-22(14-23(21)39-3)34-30(38)41-25/h4-8,14-15,17,19H,9-13,16H2,1-3H3,(H,34,38)(H,31,32,33)
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n/an/a 0.600n/an/an/an/a7.522



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236766
PNG
(US9388140, 111)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(O)c3)cc12
Show InChI InChI=1S/C27H25F3N4O3/c1-16-11-18(7-8-22(16)26(36)33-17-5-6-17)34-15-32-25-23(31-10-9-27(28,29)30)13-21(14-24(25)34)37-20-4-2-3-19(35)12-20/h2-4,7-8,11-15,17,31,35H,5-6,9-10H2,1H3,(H,33,36)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.600n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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)
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n/an/a 0.600n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.600n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.600n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236739
PNG
(US9388140, 83)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C27H24F4N4O3/c1-15-10-17(4-6-20(15)26(37)34-16-2-3-16)35-14-33-25-22(32-9-8-27(29,30)31)12-19(13-23(25)35)38-18-5-7-24(36)21(28)11-18/h4-7,10-14,16,32,36H,2-3,8-9H2,1H3,(H,34,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236776
PNG
(US9388140, 114A)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C30H31FN4O4/c1-18-12-21(4-6-24(18)30(37)34-20-2-3-20)35-17-33-29-26(32-16-19-8-10-38-11-9-19)14-23(15-27(29)35)39-22-5-7-28(36)25(31)13-22/h4-7,12-15,17,19-20,32,36H,2-3,8-11,16H2,1H3,(H,34,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236714
PNG
(US9388140, 55)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-3-30-25(35)19-9-8-17(12-16(19)2)33-15-32-24-20(31-11-10-26(27,28)29)13-18(14-21(24)33)36-23-7-5-4-6-22(23)34/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35)
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n/an/a 0.700n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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 |w:29.33|
Show InChI InChI=1/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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n/an/a 0.700n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.700n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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)
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n/an/a 0.700n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218771
PNG
(US9296757, 93)
Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:11.10|
Show InChI InChI=1/C25H29N5O5S2/c1-33-8-6-30(7-9-34-2)24(31)14-4-5-15-19(10-14)36-23-21(15)22(26-13-27-23)28-16-12-20-17(11-18(16)35-3)29-25(32)37-20/h11-14H,4-10H2,1-3H3,(H,29,32)(H,26,27,28)
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n/an/a 0.700n/an/an/an/a7.522



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236683
PNG
(BDBM236703 | US9388140, 24)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C31H33FN4O4/c1-19-13-22(5-7-25(19)31(37)35-21-3-4-21)36-18-34-30-27(33-17-20-9-11-39-12-10-20)15-24(16-28(30)36)40-23-6-8-29(38-2)26(32)14-23/h5-8,13-16,18,20-21,33H,3-4,9-12,17H2,1-2H3,(H,35,37)
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n/an/a 0.700n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236663
PNG
(US9388140, 4)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C27H24F4N4O2/c1-16-11-19(7-8-22(16)26(36)34-18-5-6-18)35-15-33-25-23(32-10-9-27(29,30)31)13-21(14-24(25)35)37-20-4-2-3-17(28)12-20/h2-4,7-8,11-15,18,32H,5-6,9-10H2,1H3,(H,34,36)
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n/an/a 0.700n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236692
PNG
(US9388140, 33)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C28H26F4N4O3/c1-16-11-18(5-7-21(16)27(37)35-17-3-4-17)36-15-34-26-23(33-10-9-28(30,31)32)13-20(14-24(26)36)39-19-6-8-25(38-2)22(29)12-19/h5-8,11-15,17,33H,3-4,9-10H2,1-2H3,(H,35,37)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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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n/an/a 0.800n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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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n/an/a 0.800n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236711
PNG
(US9388140, 52)
Show SMILES CNC(=O)c1ccc(cc1C)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C30H30F3N5O2/c1-17-12-19(4-8-23(17)28(39)34-3)20-14-25(35-11-10-30(31,32)33)27-26(15-20)38(16-36-27)22-7-9-24(18(2)13-22)29(40)37-21-5-6-21/h4,7-9,12-16,21,35H,5-6,10-11H2,1-3H3,(H,34,39)(H,37,40)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236761
PNG
(US9388140, 106)
Show SMILES COc1ccc(Cc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C29H28F4N4O2/c1-17-11-21(6-7-22(17)28(38)36-20-4-5-20)37-16-35-27-24(34-10-9-29(31,32)33)14-19(15-25(27)37)12-18-3-8-26(39-2)23(30)13-18/h3,6-8,11,13-16,20,34H,4-5,9-10,12H2,1-2H3,(H,36,38)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
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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n/an/a 0.900n/an/an/an/a7.722



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...


US Patent US9512126 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z5S
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236710
PNG
(US9388140, 51)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C32H32F3N5O2/c1-18-13-20(3-9-25(18)30(41)38-22-4-5-22)21-15-27(36-12-11-32(33,34)35)29-28(16-21)40(17-37-29)24-8-10-26(19(2)14-24)31(42)39-23-6-7-23/h3,8-10,13-17,22-23,36H,4-7,11-12H2,1-2H3,(H,38,41)(H,39,42)
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Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236688
PNG
(US9388140, 29)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c(F)c1
Show InChI InChI=1S/C28H26F4N4O3/c1-16-11-18(5-7-21(16)27(37)35-17-3-4-17)36-15-34-26-23(33-10-9-28(30,31)32)13-20(14-24(26)36)39-25-8-6-19(38-2)12-22(25)29/h5-8,11-15,17,33H,3-4,9-10H2,1-2H3,(H,35,37)
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n/an/a 0.900n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236778
PNG
(US9388140, 116A)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C30H31FN4O4/c1-18-12-21(4-6-24(18)30(37)34-20-2-3-20)35-17-33-29-26(32-16-19-8-10-38-11-9-19)14-23(15-27(29)35)39-28-7-5-22(36)13-25(28)31/h4-7,12-15,17,19-20,32,36H,2-3,8-11,16H2,1H3,(H,34,37)
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n/an/a 1n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair
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