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Patent code US9468642

Compile Data Set for Download or QSAR
Found 46 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM251794
PNG
(US9468642, 35)
Show SMILES OCCCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2S/c31-14-4-5-15-33-26-24-27-16-23(30(24)17-22(29-26)18-6-2-1-3-7-18)19-8-10-20(11-9-19)25(32)28-21-12-13-21/h1-3,6-11,16-17,21,31H,4-5,12-15H2,(H,28,32)
PDB
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UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251765
PNG
(US9468642, 11B)
Show SMILES CC(C)(C)CCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O3S/c1-28(2,3)15-16-36(34,35)27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33)
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UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251795
PNG
(US9468642, 36)
Show SMILES OCCCCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O4S/c31-14-4-5-15-35(33,34)26-24-27-16-23(30(24)17-22(29-26)18-6-2-1-3-7-18)19-8-10-20(11-9-19)25(32)28-21-12-13-21/h1-3,6-11,16-17,21,31H,4-5,12-15H2,(H,28,32)
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UniChem
US Patent
n/an/a 5.10n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251768
PNG
(US9468642, 15)
Show SMILES CS(=O)(=NC(=O)C(F)(F)F)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H20F3N5O3S/c1-37(36,32-24(35)25(26,27)28)23-21-29-13-20(33(21)14-19(31-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(34)30-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,30,34)
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US Patent
n/an/a 5.20n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251752
PNG
(US9468642, 3A)
Show SMILES CS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28)
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US Patent
n/an/a 6n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251781
PNG
(US9468642, 26A)
Show SMILES FC(F)(F)C[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H19F3N4O2S/c25-24(26,27)14-34(33)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)/t34-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251776
PNG
(US9468642, 22B)
Show SMILES CC(C)CS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3S/c1-17(2)16-34(32,33)26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
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US Patent
n/an/a 6.40n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251779
PNG
(US9468642, 24B)
Show SMILES CC(C)CCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O3S/c1-18(2)14-15-35(33,34)27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32)
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n/an/a 6.5n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251785
PNG
(US9468642, 28B)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(nc(cn12)-c1ccccc1)S(=O)(=O)Cc1ccco1
Show InChI InChI=1S/C27H22N4O4S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(36(33,34)17-22-7-4-14-35-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-11,14-16,21H,12-13,17H2,(H,29,32)
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US Patent
n/an/a 7.10n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251771
PNG
(US9468642, 18B)
Show SMILES CCCCCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O3S/c1-2-3-7-16-35(33,34)27-25-28-17-24(31(25)18-23(30-27)19-8-5-4-6-9-19)20-10-12-21(13-11-20)26(32)29-22-14-15-22/h4-6,8-13,17-18,22H,2-3,7,14-16H2,1H3,(H,29,32)
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n/an/a 7.5n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251756
PNG
(US9468642, 5B)
Show SMILES CCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O3S/c1-2-32(30,31)24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29)
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n/an/a 7.70n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251767
PNG
(US9468642, 13B)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(nc(cn12)-c1ccccc1)S(=O)(=O)C[C@H]1CCCO1
Show InChI InChI=1S/C27H26N4O4S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(36(33,34)17-22-7-4-14-35-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251766
PNG
(US9468642, 12)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(SC[C@H]3CCCO3)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,21-22H,4,7,12-14,17H2,(H,29,32)/t22-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251782
PNG
(US9468642, 26B)
Show SMILES FC(F)(F)CS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H19F3N4O3S/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
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n/an/a 8.10n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251753
PNG
(US9468642, 3B)
Show SMILES C[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O2S/c1-30(29)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28)/t30-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251759
PNG
(US9468642, 7B)
Show SMILES CCCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3S/c1-2-14-33(31,32)25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)
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n/an/a 10.1n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251761
PNG
(US9468642, 9A)
Show SMILES CCCC[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2S/c1-2-3-15-33(32)26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31)/t33-/m1/s1
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n/an/a 10.3n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251757
PNG
(US9468642, 6)
Show SMILES CCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4OS/c1-2-14-31-25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)
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n/an/a 11n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251775
PNG
(US9468642, 22A)
Show SMILES CC(C)C[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O2S/c1-17(2)16-33(32)26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)/t33-/m1/s1
PDB
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n/an/a 12.7n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251774
PNG
(US9468642, 21)
Show SMILES CC(C)CSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4OS/c1-17(2)16-32-26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
PDB
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n/an/a 13.2n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251773
PNG
(US9468642, 20B)
Show SMILES CC(C)S(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3S/c1-16(2)33(31,32)25-23-26-14-22(29(23)15-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,14-16,20H,12-13H2,1-2H3,(H,27,30)
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n/an/a 13.9n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251762
PNG
(US9468642, 9B)
Show SMILES CCCCS(=O)(=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3S/c1-2-3-15-34(32,33)26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31)
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n/an/a 14n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251778
PNG
(US9468642, 24A)
Show SMILES CC(C)CC[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O2S/c1-18(2)14-15-34(33)27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32)/t34-/m1/s1
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n/an/a 14.5n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251784
PNG
(US9468642, 28A)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(nc(cn12)-c1ccccc1)[S@](=O)Cc1ccco1
Show InChI InChI=1S/C27H22N4O3S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(35(33)17-22-7-4-14-34-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-11,14-16,21H,12-13,17H2,(H,29,32)/t35-/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251790
PNG
(US9468642, 33)
Show SMILES CC(=O)NCCSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccccc1
Show InChI InChI=1S/C28H26N6OS/c1-18(35)29-13-14-36-28-27-31-16-25(34(27)17-24(33-28)19-5-3-2-4-6-19)21-9-7-20(8-10-21)23-15-30-26(32-23)22-11-12-22/h2-10,15-17,22H,11-14H2,1H3,(H,29,35)(H,30,32)
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n/an/a 19.9n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251758
PNG
(US9468642, 7A)
Show SMILES CCC[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4O2S/c1-2-14-32(31)25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)/t32-/m1/s1
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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 (...


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


(Homo sapiens (Human))
BDBM251754
PNG
(US9468642, 4)
Show SMILES CCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H22N4OS/c1-2-30-24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29)
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n/an/a 22.2n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251772
PNG
(US9468642, 19)
Show SMILES CC(C)Sc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C25H24N4OS/c1-16(2)31-25-23-26-14-22(29(23)15-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,14-16,20H,12-13H2,1-2H3,(H,27,30)
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n/an/a 22.3n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251764
PNG
(US9468642, 11A)
Show SMILES CC(C)(C)CC[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O2S/c1-28(2,3)15-16-35(34)27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33)/t35-/m1/s1
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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 (...


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


(Homo sapiens (Human))
BDBM251777
PNG
(US9468642, 23)
Show SMILES CC(C)CCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4OS/c1-18(2)14-15-33-27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32)
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n/an/a 25.2n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251751
PNG
(US9468642, 2)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C23H20N4OS/c1-29-23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28)
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n/an/a 25.7n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251760
PNG
(US9468642, 8)
Show SMILES CCCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C26H26N4OS/c1-2-3-15-32-26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31)
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n/an/a 26.3n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251780
PNG
(US9468642, 25)
Show SMILES FC(F)(F)CSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H19F3N4OS/c25-24(26,27)14-33-23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
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n/an/a 26.3n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251755
PNG
(US9468642, 5A)
Show SMILES CC[S@@](=O)c1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O2S/c1-2-31(30)24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29)/t31-/m1/s1
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n/an/a 27.7n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251783
PNG
(US9468642, 27)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(SCc3ccco3)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C27H22N4O2S/c32-26(29-21-12-13-21)20-10-8-19(9-11-20)24-15-28-25-27(34-17-22-7-4-14-33-22)30-23(16-31(24)25)18-5-2-1-3-6-18/h1-11,14-16,21H,12-13,17H2,(H,29,32)
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n/an/a 40.8n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251791
PNG
(US9468642, 34A)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(CCO)cc1
Show InChI InChI=1S/C27H25N5OS/c1-34-27-26-29-15-24(32(26)16-23(31-27)19-4-2-17(3-5-19)12-13-33)20-8-6-18(7-9-20)22-14-28-25(30-22)21-10-11-21/h2-9,14-16,21,33H,10-13H2,1H3,(H,28,30)
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n/an/a 48.7n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251792
PNG
(US9468642, 34B)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(cc1)[C@H](C)O
Show InChI InChI=1S/C27H25N5OS/c1-16(33)17-3-5-19(6-4-17)23-15-32-24(14-29-26(32)27(31-23)34-2)20-9-7-18(8-10-20)22-13-28-25(30-22)21-11-12-21/h3-10,13-16,21,33H,11-12H2,1-2H3,(H,28,30)/t16-/m0/s1
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n/an/a 58.2n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251769
PNG
(US9468642, 16)
Show SMILES CC(C)(C)OC(=O)NCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O3S/c1-29(2,3)37-28(36)30-15-16-38-27-25-31-17-24(34(25)18-23(33-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(35)32-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,36)(H,32,35)
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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 (...


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


(Homo sapiens (Human))
BDBM251770
PNG
(US9468642, 17)
Show SMILES CCCCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4OS/c1-2-3-7-16-33-27-25-28-17-24(31(25)18-23(30-27)19-8-5-4-6-9-19)20-10-12-21(13-11-20)26(32)29-22-14-15-22/h4-6,8-13,17-18,22H,2-3,7,14-16H2,1H3,(H,29,32)
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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 (...


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


(Homo sapiens (Human))
BDBM251763
PNG
(US9468642, 10)
Show SMILES CC(C)(C)CCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C28H30N4OS/c1-28(2,3)15-16-34-27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33)
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n/an/a 85.1n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251793
PNG
(US9468642, 34C)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(cc1)[C@@H](C)O
Show InChI InChI=1S/C27H25N5OS/c1-16(33)17-3-5-19(6-4-17)23-15-32-24(14-29-26(32)27(31-23)34-2)20-9-7-18(8-10-20)22-13-28-25(30-22)21-11-12-21/h3-10,13-16,21,33H,11-12H2,1-2H3,(H,28,30)/t16-/m1/s1
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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 (...


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


(Homo sapiens (Human))
BDBM251788
PNG
(US9468642, 31)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccncc1
Show InChI InChI=1S/C24H20N6S/c1-31-24-23-27-13-21(30(23)14-20(29-24)16-8-10-25-11-9-16)17-4-2-15(3-5-17)19-12-26-22(28-19)18-6-7-18/h2-5,8-14,18H,6-7H2,1H3,(H,26,28)
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UniProtKB/SwissProt

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US Patent
n/an/a 125n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251789
PNG
(US9468642, 32)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO
Show InChI InChI=1S/C22H19N5OS/c1-29-22-21-24-12-19(27(21)13-17(25-22)3-2-10-28)15-6-4-14(5-7-15)18-11-23-20(26-18)16-8-9-16/h4-7,11-13,16,28H,8-10H2,1H3,(H,23,26)
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n/an/a 151n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251786
PNG
(US9468642, 29)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccccc1
Show InChI InChI=1S/C25H21N5S/c1-31-25-24-27-14-22(30(24)15-21(29-25)16-5-3-2-4-6-16)18-9-7-17(8-10-18)20-13-26-23(28-20)19-11-12-19/h2-10,13-15,19H,11-12H2,1H3,(H,26,28)
PDB
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n/an/a 544n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251750
PNG
(US9468642, 1)
Show SMILES CSc1nc(Br)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C17H15BrN4OS/c1-24-17-15-19-8-13(22(15)9-14(18)21-17)10-2-4-11(5-3-10)16(23)20-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,20,23)
PDB
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n/an/a 607n/an/an/an/an/an/a



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 (...


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


(Homo sapiens (Human))
BDBM251787
PNG
(US9468642, 30)
Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccc(C=C)cc1
Show InChI InChI=1S/C27H23N5S/c1-3-17-4-6-19(7-5-17)23-16-32-24(15-29-26(32)27(31-23)33-2)20-10-8-18(9-11-20)22-14-28-25(30-22)21-12-13-21/h3-11,14-16,21H,1,12-13H2,2H3,(H,28,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



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 (...


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