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Compile Data Set for Download or QSAR

Found 29 hits of Enz. Inhib. data with enzyme = 'Dual specificity protein kinase TTK' and Substrate = 'Biotinylated Peptide'   
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))
BDBM213813
PNG
(US9284317, 3-1)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccc(cc1)S(=O)C1CC1
Show InChI InChI=1S/C29H31N5O2S/c1-18(2)15-30-27-28-31-16-26(20-3-5-21(6-4-20)29(35)32-22-9-10-22)34(28)17-25(33-27)19-7-11-23(12-8-19)37(36)24-13-14-24/h3-8,11-12,16-18,22,24H,9-10,13-15H2,1-2H3,(H,30,33)(H,32,35)
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n/an/a 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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213818
PNG
(US9284317, 5-1)
Show SMILES CC(C)CNc1nc(\C=C2/CCC(=O)N2C)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H30N6O2/c1-16(2)13-27-24-25-28-14-22(17-4-6-18(7-5-17)26(34)30-19-8-9-19)32(25)15-20(29-24)12-21-10-11-23(33)31(21)3/h4-7,12,14-16,19H,8-11,13H2,1-3H3,(H,27,29)(H,30,34)/b21-12+
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n/an/a 1.90n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213792
PNG
(US9284317, 1-4)
Show SMILES C\C=C(\C)c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C24H29N5O/c1-5-16(4)20-14-29-21(13-26-23(29)22(28-20)25-12-15(2)3)17-6-8-18(9-7-17)24(30)27-19-10-11-19/h5-9,13-15,19H,10-12H2,1-4H3,(H,25,28)(H,27,30)/b16-5-
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n/an/a 1.90n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213794
PNG
(US9284317, 1-6)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCC=CC1
Show InChI InChI=1S/C26H31N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-4,8-11,15-18,21H,5-7,12-14H2,1-2H3,(H,27,30)(H,29,32)
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n/an/a 2.80n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213796
PNG
(US9284317, 1-8)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1=CCCC1
Show InChI InChI=1S/C25H29N5O/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(29-23)17-5-3-4-6-17)18-7-9-19(10-8-18)25(31)28-20-11-12-20/h5,7-10,14-16,20H,3-4,6,11-13H2,1-2H3,(H,26,29)(H,28,31)
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n/an/a 3.90n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213795
PNG
(US9284317, 1-7)
Show SMILES C\C=C(/C)c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C24H29N5O/c1-5-16(4)20-14-29-21(13-26-23(29)22(28-20)25-12-15(2)3)17-6-8-18(9-7-17)24(30)27-19-10-11-19/h5-9,13-15,19H,10-12H2,1-4H3,(H,25,28)(H,27,30)/b16-5+
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n/an/a 4.10n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213807
PNG
(US9284317, 1-19)
Show SMILES C\C=C(/C)c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(C)c1
Show InChI InChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+
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n/an/a 4.20n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213791
PNG
(US9284317, 1-3)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1=CCCCC1
Show InChI InChI=1S/C26H31N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h6,8-11,15-17,21H,3-5,7,12-14H2,1-2H3,(H,27,30)(H,29,32)
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n/an/a 4.20n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213797
PNG
(US9284317, 1-9)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C(C)=C
Show InChI InChI=1S/C23H27N5O/c1-14(2)11-24-21-22-25-12-20(28(22)13-19(27-21)15(3)4)16-5-7-17(8-6-16)23(29)26-18-9-10-18/h5-8,12-14,18H,3,9-11H2,1-2,4H3,(H,24,27)(H,26,29)
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n/an/a 5.80n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213817
PNG
(US9284317, 4-2)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCCC1
Show InChI InChI=1S/C25H31N5O/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(29-23)17-5-3-4-6-17)18-7-9-19(10-8-18)25(31)28-20-11-12-20/h7-10,14-17,20H,3-6,11-13H2,1-2H3,(H,26,29)(H,28,31)
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n/an/a 6.10n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213793
PNG
(US9284317, 1-5)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CC1
Show InChI InChI=1S/C23H27N5O/c1-14(2)11-24-21-22-25-12-20(28(22)13-19(27-21)15-3-4-15)16-5-7-17(8-6-16)23(29)26-18-9-10-18/h5-8,12-15,18H,3-4,9-11H2,1-2H3,(H,24,27)(H,26,29)
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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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213789
PNG
(US9284317, 1-1)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C23H27N5O/c1-4-5-19-14-28-20(13-25-22(28)21(26-19)24-12-15(2)3)16-6-8-17(9-7-16)23(29)27-18-10-11-18/h4-9,13-15,18H,10-12H2,1-3H3,(H,24,26)(H,27,29)/b5-4+
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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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213790
PNG
(US9284317, 1-2)
Show SMILES COCc1cccc(c1)-c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C28H31N5O2/c1-18(2)14-29-26-27-30-15-25(20-7-9-21(10-8-20)28(34)31-23-11-12-23)33(27)16-24(32-26)22-6-4-5-19(13-22)17-35-3/h4-10,13,15-16,18,23H,11-12,14,17H2,1-3H3,(H,29,32)(H,31,34)
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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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213809
PNG
(US9284317, 2-1)
Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccncc1
Show InChI InChI=1S/C29H33N7O3/c1-29(2,3)39-28(38)32-14-4-13-31-25-26-33-17-24(36(26)18-23(35-25)19-11-15-30-16-12-19)20-5-7-21(8-6-20)27(37)34-22-9-10-22/h5-8,11-12,15-18,22H,4,9-10,13-14H2,1-3H3,(H,31,35)(H,32,38)(H,34,37)
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n/an/a 8.30n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213820
PNG
(US9284317, 6-1)
Show SMILES CC(C)CNc1nc(NC(=O)c2ccccn2)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H27N7O2/c1-16(2)13-28-23-24-29-14-21(17-6-8-18(9-7-17)25(34)30-19-10-11-19)33(24)15-22(31-23)32-26(35)20-5-3-4-12-27-20/h3-9,12,14-16,19H,10-11,13H2,1-2H3,(H,28,31)(H,30,34)(H,32,35)
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n/an/a 10.4n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213812
PNG
(US9284317, 2-4)
Show SMILES CC(C)(C)OC(=O)NC\C=C/CCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C32H36N6O3/c1-32(2,3)41-31(40)34-19-9-5-8-18-33-28-29-35-20-27(38(29)21-26(37-28)22-10-6-4-7-11-22)23-12-14-24(15-13-23)30(39)36-25-16-17-25/h4-7,9-15,20-21,25H,8,16-19H2,1-3H3,(H,33,37)(H,34,40)(H,36,39)/b9-5-
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n/an/a 12.3n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213816
PNG
(US9284317, 4-1)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCCCC1
Show InChI InChI=1S/C26H33N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h8-11,15-18,21H,3-7,12-14H2,1-2H3,(H,27,30)(H,29,32)
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n/an/a 12.6n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213803
PNG
(US9284317, 1-15)
Show SMILES C\C=C\c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(F)c1
Show InChI InChI=1S/C22H21F4N5O/c1-2-3-15-12-31-18(11-28-20(31)19(29-15)27-9-8-22(24,25)26)13-4-7-16(17(23)10-13)21(32)30-14-5-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,27,29)(H,30,32)/b3-2+
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n/an/a 15.4n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213808
PNG
(US9284317, 1-20)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccc(C=C)cc1
Show InChI InChI=1S/C28H29N5O/c1-4-19-5-7-20(8-6-19)24-17-33-25(16-30-27(33)26(32-24)29-15-18(2)3)21-9-11-22(12-10-21)28(34)31-23-13-14-23/h4-12,16-18,23H,1,13-15H2,2-3H3,(H,29,32)(H,31,34)
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n/an/a 21.4n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213806
PNG
(US9284317, 1-18)
Show SMILES C\C=C\c1cn2c(cnc2c(NCc2ccnn2C)n1)-c1ccc(C(=O)NC2CC2)c(F)c1
Show InChI InChI=1S/C24H24FN7O/c1-3-4-17-14-32-21(15-5-8-19(20(25)11-15)24(33)30-16-6-7-16)13-27-23(32)22(29-17)26-12-18-9-10-28-31(18)2/h3-5,8-11,13-14,16H,6-7,12H2,1-2H3,(H,26,29)(H,30,33)/b4-3+
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n/an/a 31.9n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213799
PNG
(US9284317, 1-11)
Show SMILES C\C=C\c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C22H21ClF3N5O/c1-2-3-15-12-31-18(11-28-20(31)19(29-15)27-9-8-22(24,25)26)13-4-7-16(17(23)10-13)21(32)30-14-5-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,27,29)(H,30,32)/b3-2+
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n/an/a 34.3n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213802
PNG
(US9284317, 1-14)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(C(=O)NC2CC2)c(F)c1
Show InChI InChI=1S/C23H26FN5O/c1-4-5-17-13-29-20(12-26-22(29)21(27-17)25-11-14(2)3)15-6-9-18(19(24)10-15)23(30)28-16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,27)(H,28,30)/b5-4+
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n/an/a 38.7n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213804
PNG
(US9284317, 1-16)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)(C)O)n1)-c1ccc(C(=O)NC2CC2)c(F)c1
Show InChI InChI=1S/C23H26FN5O2/c1-4-5-16-12-29-19(11-25-21(29)20(27-16)26-13-23(2,3)31)14-6-9-17(18(24)10-14)22(30)28-15-7-8-15/h4-6,9-12,15,31H,7-8,13H2,1-3H3,(H,26,27)(H,28,30)/b5-4+
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n/an/a 46.5n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213811
PNG
(US9284317, 2-3)
Show SMILES CC(C)(C)OC(=O)NC\C=C\CCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C32H36N6O3/c1-32(2,3)41-31(40)34-19-9-5-8-18-33-28-29-35-20-27(38(29)21-26(37-28)22-10-6-4-7-11-22)23-12-14-24(15-13-23)30(39)36-25-16-17-25/h4-7,9-15,20-21,25H,8,16-19H2,1-3H3,(H,33,37)(H,34,40)(H,36,39)/b9-5+
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n/an/a 64n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213801
PNG
(US9284317, 1-13)
Show SMILES C\C=C\c1cn2c(cnc2c(NCc2ccnn2C)n1)-c1ccc(C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C24H24ClN7O/c1-3-4-17-14-32-21(15-5-8-19(20(25)11-15)24(33)30-16-6-7-16)13-27-23(32)22(29-17)26-12-18-9-10-28-31(18)2/h3-5,8-11,13-14,16H,6-7,12H2,1-2H3,(H,26,29)(H,30,33)/b4-3+
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n/an/a 70.6n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213798
PNG
(US9284317, 1-10)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C23H26ClN5O/c1-4-5-17-13-29-20(12-26-22(29)21(27-17)25-11-14(2)3)15-6-9-18(19(24)10-15)23(30)28-16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,27)(H,28,30)/b5-4+
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n/an/a 72.3n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213810
PNG
(US9284317, 2-2)
Show SMILES CC(C)(C)OC(=O)NCC#CCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C32H34N6O3/c1-32(2,3)41-31(40)34-19-9-5-8-18-33-28-29-35-20-27(38(29)21-26(37-28)22-10-6-4-7-11-22)23-12-14-24(15-13-23)30(39)36-25-16-17-25/h4,6-7,10-15,20-21,25H,8,16-19H2,1-3H3,(H,33,37)(H,34,40)(H,36,39)
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n/an/a 94.6n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213805
PNG
(US9284317, 1-17)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC2CCCO2)n1)-c1ccc(C(=O)NC2CC2)c(F)c1
Show InChI InChI=1S/C24H26FN5O2/c1-2-4-17-14-30-21(13-27-23(30)22(28-17)26-12-18-5-3-10-32-18)15-6-9-19(20(25)11-15)24(31)29-16-7-8-16/h2,4,6,9,11,13-14,16,18H,3,5,7-8,10,12H2,1H3,(H,26,28)(H,29,31)/b4-2+
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n/an/a 99.2n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM213800
PNG
(US9284317, 1-12)
Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)(C)O)n1)-c1ccc(C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C23H26ClN5O2/c1-4-5-16-12-29-19(11-25-21(29)20(27-16)26-13-23(2,3)31)14-6-9-17(18(24)10-14)22(30)28-15-7-8-15/h4-6,9-12,15,31H,7-8,13H2,1-3H3,(H,26,27)(H,28,30)/b5-4+
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n/an/a 132n/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 (...


US Patent US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair