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Compile Data Set for Download or QSAR

Found 1483 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK'   
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))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1
Show InChI InChI=1S/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) transfected in human HCT116 cells after 4 hrs by near infrared imager analysis


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053304
PNG
(CHEMBL3330410)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
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n/an/an/an/a 420n/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053305
PNG
(CHEMBL3330409)
Show SMILES CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
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n/an/an/an/a 520n/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241235
PNG
(US9409907, 77)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241226
PNG
(US9409907, 68)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O/c1-23(2,3)14-26-21-20-16(8-9-24-21)11-25-22(29-20)28-18-7-6-15(10-19(18)31-5)17-12-27-30(4)13-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28,29)
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0.5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1
Show InChI InChI=1S/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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0.770n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP


Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241213
PNG
(US9409907, 55)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O/c1-31-15-18(14-27-31)16-8-9-20(21(12-16)32-2)29-24-26-13-17-10-11-25-23(22(17)30-24)28-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,28)(H,26,29,30)
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1.30n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241216
PNG
(US9409907, 58)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3CC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-29-13-17(12-26-29)15-5-6-18(19(9-15)30-2)27-22-25-11-16-7-8-23-21(20(16)28-22)24-10-14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28)
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2.80n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241195
PNG
(US9409907, 37)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N3CCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N7O/c1-28-14-17(13-25-28)15-5-6-18(19(11-15)30-2)26-22-24-12-16-7-8-23-21(20(16)27-22)29-9-3-4-10-29/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,24,26,27)
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3.30n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241223
PNG
(US9409907, 65)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O/c1-14(2)10-24-21-20-16(7-8-23-21)11-25-22(28-20)27-18-6-5-15(9-19(18)30-4)17-12-26-29(3)13-17/h5-9,11-14H,10H2,1-4H3,(H,23,24)(H,25,27,28)
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3.70n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241234
PNG
(US9409907, 76)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(N[C@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50396148
PNG
(CHEMBL2171745 | US8802674, 50)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O3/c1-22-15-12(18(19,20)21)10-23-17(25-15)24-13-4-3-11(9-14(13)28-2)16(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H2,22,23,24,25)
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25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TTK


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50448118
PNG
(CHEMBL3122113)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


J Med Chem 57: 921-36 (2014)


Article DOI: 10.1021/jm401654j
BindingDB Entry DOI: 10.7270/Q2N0181N
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 2.30E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM26300
PNG
(2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
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n/an/an/a 8.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 3.30E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 1.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a 1.90E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 3.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/an/a 1.60E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/an/a 4.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 2.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 1.80E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 3.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 6.10E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 6.30E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Z60MFN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM36485
PNG
(1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrr...)
Show SMILES COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
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n/an/a 367n/an/an/an/a7.50



Dana-Farber Cancer Institute



Assay Description
ATP-site competition binding assay using Mps1 Kinase inhibitors in LanthaScreen Eu time-resolved FRET (TR-FRET) technology from Invitrogen.


Nat Chem Biol 6: 359-68 (2010)


Article DOI: 10.1038/nchembio.345
BindingDB Entry DOI: 10.7270/Q27D2SGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM36486
PNG
(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
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n/an/a 145n/an/an/an/a7.50



Dana-Farber Cancer Institute



Assay Description
ATP-site competition binding assay using Mps1 Kinase inhibitors in LanthaScreen Eu time-resolved FRET (TR-FRET) technology from Invitrogen.


Nat Chem Biol 6: 359-68 (2010)


Article DOI: 10.1038/nchembio.345
BindingDB Entry DOI: 10.7270/Q27D2SGG
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM36486
PNG
(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
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n/an/a 145 26n/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro biochemical assays were performed in parallel to determine the most potent tool compound.


Chem Biol 18: 868-79 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.010
BindingDB Entry DOI: 10.7270/Q2HD7T57
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM47183
PNG
(US8975267, 16)
Show SMILES CCc1cccc(CC)c1NC(=O)c1cn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H43N7O2/c1-6-23-10-8-11-24(7-2)31(23)38-34(43)28-22-41(4)33-27(28)13-9-12-25-21-36-35(39-32(25)33)37-29-15-14-26(20-30(29)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-22H,6-7,9,12-13,16-19H2,1-5H3,(H,38,43)(H,36,37,39)
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n/an/a 132n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
The buffer for PIM-2 assay was composed of HEPES 50 mM, at pH 7.5, with 1 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSAFull-length human PIM...


US Patent US8975267 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W41
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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n/an/a 193n/an/an/an/an/an/a



George Washington University



Assay Description
The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.


Nat Chem Biol 10: 853-860 (2014)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q28G8JCH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141328
PNG
(US8916577, 1)
Show SMILES COc1cc(Br)ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C19H19BrN6O2/c1-26-17-12(16(25-26)18(21)27)5-3-4-10-9-22-19(24-15(10)17)23-13-7-6-11(20)8-14(13)28-2/h6-9H,3-5H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/a 421n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141330
PNG
(US8916577, 3)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N8O2/c1-30-9-11-32(12-10-30)16-7-8-18(19(13-16)34-3)27-24-26-14-15-5-4-6-17-21(23(25)33)29-31(2)22(17)20(15)28-24/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,25,33)(H,26,27,28)
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n/an/a 194n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141331
PNG
(US8916577, 4)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C34H42N8O2/c1-6-22-10-8-11-23(7-2)29(22)37-33(43)31-26-13-9-12-24-21-35-34(38-30(24)32(26)41(4)39-31)36-27-15-14-25(20-28(27)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-21H,6-7,9,12-13,16-19H2,1-5H3,(H,37,43)(H,35,36,38)
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n/an/a 184n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141341
PNG
(US8916577, 5)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)N[C@H](CN)c1ccccc1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C34H41N9O3/c1-42-16-14-24(15-17-42)37-32(44)22-12-13-26(28(18-22)46-3)39-34-36-20-23-10-7-11-25-30(41-43(2)31(25)29(23)40-34)33(45)38-27(19-35)21-8-5-4-6-9-21/h4-6,8-9,12-13,18,20,24,27H,7,10-11,14-17,19,35H2,1-3H3,(H,37,44)(H,38,45)(H,36,39,40)/t27-/m1/s1
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n/an/a 469n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141332
PNG
(US8916577, 8)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)Nc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C30H34N8O2/c1-36-14-16-38(17-15-36)22-12-13-24(25(18-22)40-3)33-30-31-19-20-8-7-11-23-27(35-37(2)28(23)26(20)34-30)29(39)32-21-9-5-4-6-10-21/h4-6,9-10,12-13,18-19H,7-8,11,14-17H2,1-3H3,(H,32,39)(H,31,33,34)
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n/an/a 353n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141333
PNG
(US8916577, 27)
Show SMILES CCc1cccc(C)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H40N8O2/c1-6-22-10-7-9-21(2)28(22)36-32(42)30-25-12-8-11-23-20-34-33(37-29(23)31(25)40(4)38-30)35-26-14-13-24(19-27(26)43-5)41-17-15-39(3)16-18-41/h7,9-10,13-14,19-20H,6,8,11-12,15-18H2,1-5H3,(H,36,42)(H,34,35,37)
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n/an/a 189n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141334
PNG
(US8916577, 28)
Show SMILES COc1cc(ccc1Nc1ncc2CCCc3c(nn(C)c3-c2n1)C(=O)NC1CCCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40N8O2/c1-36-14-16-38(17-15-36)22-12-13-24(25(18-22)40-3)33-30-31-19-20-8-7-11-23-27(35-37(2)28(23)26(20)34-30)29(39)32-21-9-5-4-6-10-21/h12-13,18-19,21H,4-11,14-17H2,1-3H3,(H,32,39)(H,31,33,34)
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n/an/a 249n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141329
PNG
(US8916577, 32)
Show SMILES CNC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(Br)cc3OC)nc-21
Show InChI InChI=1S/C20H21BrN6O2/c1-22-19(28)17-13-6-4-5-11-10-23-20(25-16(11)18(13)27(2)26-17)24-14-8-7-12(21)9-15(14)29-3/h7-10H,4-6H2,1-3H3,(H,22,28)(H,23,24,25)
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n/an/a 277n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141338
PNG
(US8916577, 35)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-6-22-10-8-11-23(7-2)30(22)40-35(46)32-27-13-9-12-25-21-37-36(41-31(25)33(27)44(4)42-32)39-28-15-14-24(20-29(28)47-5)34(45)38-26-16-18-43(3)19-17-26/h8,10-11,14-15,20-21,26H,6-7,9,12-13,16-19H2,1-5H3,(H,38,45)(H,40,46)(H,37,39,41)
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n/an/a 66n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141339
PNG
(US8916577, 43)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-5-22-10-7-11-23(6-2)29(22)42-33(48)31-26-13-8-12-25-21-40-35(43-30(25)32(26)46(4)44-31)41-27-15-14-24(20-28(27)50-36(37,38)39)34(49)47-17-9-16-45(3)18-19-47/h7,10-11,14-15,20-21H,5-6,8-9,12-13,16-19H2,1-4H3,(H,42,48)(H,40,41,43)
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n/an/a 199n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141327
PNG
(US8916577, 56)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(CC(F)(F)F)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H41F3N8O2/c1-5-22-9-7-10-23(6-2)29(22)41-33(47)31-26-12-8-11-24-20-39-34(42-30(24)32(26)46(43-31)21-35(36,37)38)40-27-14-13-25(19-28(27)48-4)45-17-15-44(3)16-18-45/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18,21H2,1-4H3,(H,41,47)(H,39,40,42)
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n/an/a 862n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141326
PNG
(US8916577, 67)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C23H28N8O/c1-29-10-12-31(13-11-29)17-8-6-16(7-9-17)26-23-25-14-15-4-3-5-18-20(22(24)32)28-30(2)21(18)19(15)27-23/h6-9,14H,3-5,10-13H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141340
PNG
(US8916577, 71)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(CCO)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C37H48N8O3/c1-6-24-10-8-11-25(7-2)32(24)40-36(47)34-29-13-9-12-26-23-38-37(41-33(26)35(29)45(42-34)20-21-46)39-30-15-14-28(22-31(30)48-5)44-18-16-27(17-19-44)43(3)4/h8,10-11,14-15,22-23,27,46H,6-7,9,12-13,16-21H2,1-5H3,(H,40,47)(H,38,39,41)
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n/an/a 174n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141335
PNG
(US8916577, 97)
Show SMILES CCc1cccc(CC)c1NC(=O)c1c2CCCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc3-c2nn1C
Show InChI InChI=1S/C34H42N8O2/c1-6-22-10-8-11-23(7-2)29(22)37-33(43)32-26-13-9-12-24-21-35-34(38-30(24)31(26)39-41(32)4)36-27-15-14-25(20-28(27)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-21H,6-7,9,12-13,16-19H2,1-5H3,(H,37,43)(H,35,36,38)
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n/an/a 853n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141336
PNG
(US8916577, 99)
Show SMILES CCc1cccc(CC)c1NC(=O)c1noc-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H39N7O3/c1-5-21-9-7-10-22(6-2)28(21)36-32(41)30-25-12-8-11-23-20-34-33(37-29(23)31(25)43-38-30)35-26-14-13-24(19-27(26)42-4)40-17-15-39(3)16-18-40/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18H2,1-4H3,(H,36,41)(H,34,35,37)
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n/an/a 134n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM141337
PNG
(US8916577, 101)
Show SMILES CCc1cccc(CC)c1NC(=O)c1onc-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C33H39N7O3/c1-5-21-9-7-10-22(6-2)28(21)36-32(41)31-25-12-8-11-23-20-34-33(37-29(23)30(25)38-43-31)35-26-14-13-24(19-27(26)42-4)40-17-15-39(3)16-18-40/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18H2,1-4H3,(H,36,41)(H,34,35,37)
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n/an/a 308n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM149680
PNG
(US8975267, Ref. compound 1)
Show SMILES Cn1cc(C(N)=O)c2CCc3cnc(N)nc3-c12
Show InChI InChI=1S/C12H13N5O/c1-17-5-8(11(13)18)7-3-2-6-4-15-12(14)16-9(6)10(7)17/h4-5H,2-3H2,1H3,(H2,13,18)(H2,14,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-...


US Patent US8975267 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W41
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM149681
PNG
(US8975267, Ref. compound 2)
Show SMILES NC(=O)c1c([nH]c2c1ccc1cnc(N)nc21)-c1ccccc1
Show InChI InChI=1S/C17H13N5O/c18-16(23)12-11-7-6-10-8-20-17(19)22-14(10)15(11)21-13(12)9-4-2-1-3-5-9/h1-8,21H,(H2,18,23)(H2,19,20,22)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-...


US Patent US8975267 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W41
More data for this
Ligand-Target Pair
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