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Compile Data Set for Download or QSAR

Found 679 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' AND taxid = 9606   
Target
(Institution)
LigandTarget
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=1/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+/s2
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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...


Citation and Details
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


Citation and Details
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)


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


(Homo sapiens (Human))
BDBM50072905
PNG
(CHEMBL3410078)
Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)
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n/an/a 0.300n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


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


(Homo sapiens (Human))
BDBM50042929
PNG
(CHEMBL3354568)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(C)(O)c1cccc(F)c1O
Show InChI InChI=1/C28H27F4N5O3/c1-15-12-16(6-9-18(15)26(39)35-17-7-8-17)22-14-34-25-21(33-11-10-28(30,31)32)13-23(36-37(22)25)27(2,40)19-4-3-5-20(29)24(19)38/h3-6,9,12-14,17,33,38,40H,7-8,10-11H2,1-2H3,(H,35,39)
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n/an/a 0.300n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin) activity by TR-FRET assay


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


(Homo sapiens (Human))
BDBM50042928
PNG
(CHEMBL3354567)
Show SMILES COc1ccc(cc1F)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H25F4N5O3/c1-15-11-16(3-7-19(15)27(39)35-18-5-6-18)23-14-34-26-22(33-10-9-28(30,31)32)13-21(36-37(23)26)25(38)17-4-8-24(40-2)20(29)12-17/h3-4,7-8,11-14,18,33H,5-6,9-10H2,1-2H3,(H,35,39)
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n/an/a 0.400n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin) activity by TR-FRET assay


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


(Homo sapiens (Human))
BDBM50042931
PNG
(CHEMBL3354995)
Show SMILES COc1ccc(cc1)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1
Show InChI InChI=1S/C28H26F5N5O2/c1-16-13-17(3-10-21(16)26(39)36-19-6-7-19)23-15-35-25-22(34-12-11-27(29,30)31)14-24(37-38(23)25)28(32,33)18-4-8-20(40-2)9-5-18/h3-5,8-10,13-15,19,34H,6-7,11-12H2,1-2H3,(H,36,39)
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n/an/a 0.600n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin) activity by TR-FRET assay


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


(Homo sapiens (Human))
BDBM50042932
PNG
(CHEMBL3354996)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cccc(F)c1F
Show InChI InChI=1S/C29H26F5N5O/c1-16-13-17(5-8-19(16)27(40)37-18-6-7-18)23-15-36-26-22(35-12-11-29(32,33)34)14-24(38-39(23)26)28(9-10-28)20-3-2-4-21(30)25(20)31/h2-5,8,13-15,18,35H,6-7,9-12H2,1H3,(H,37,40)
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n/an/a 0.700n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin) activity by TR-FRET assay


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


(Homo sapiens (Human))
BDBM50042930
PNG
(CHEMBL3354569)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cccc(F)c1
Show InChI InChI=1S/C27H23F6N5O/c1-15-11-16(5-8-20(15)25(39)36-19-6-7-19)22-14-35-24-21(34-10-9-26(29,30)31)13-23(37-38(22)24)27(32,33)17-3-2-4-18(28)12-17/h2-5,8,11-14,19,34H,6-7,9-10H2,1H3,(H,36,39)
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n/an/a 0.700n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin) activity by TR-FRET assay


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


(Homo sapiens (Human))
BDBM50072911
PNG
(CHEMBL3410084)
Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)
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n/an/a 0.700n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


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


(Homo sapiens (Human))
BDBM50386824
PNG
(CHEMBL2047951)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O2/c1-14-12-16(29-8-10-31-11-9-29)4-7-18(14)26-22-27-20-19(23-13-24-20)21(28-22)25-15-2-5-17(30)6-3-15/h4,7,12-13,15,17,30H,2-3,5-6,8-11H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50386825
PNG
(CHEMBL2047952)
Show SMILES FC(F)(F)Oc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50386829
PNG
(CHEMBL2047956)
Show SMILES CCOc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C23H31N7O2/c1-2-32-19-14-17(30-10-12-31-13-11-30)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H3,24,25,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50386830
PNG
(CHEMBL2047958)
Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCNCC1
Show InChI InChI=1S/C22H30N8O/c1-31-18-13-16(30-11-9-23-10-12-30)7-8-17(18)27-22-28-20-19(24-14-25-20)21(29-22)26-15-5-3-2-4-6-15/h7-8,13-15,23H,2-6,9-12H2,1H3,(H3,24,25,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK


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


(Homo sapiens (Human))
BDBM194283
PNG
(US9199999, 21)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCCCC#N
Show InChI InChI=1S/C26H28N6O/c1-18(2)15-28-24-25-29-16-23(32(25)17-22(30-24)7-5-3-4-6-14-27)19-8-10-20(11-9-19)26(33)31-21-12-13-21/h8-11,16-18,21H,3-4,6,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1


Citation and Details
More data for this
Ligand-Target Pair
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=1/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)

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


(Homo sapiens (Human))
BDBM50081597
PNG
(CHEMBL3422095)
Show SMILES OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ncccn1
Show InChI InChI=1/C31H34N6O2/c38-25-17-23-11-12-24(18-25)37(23)22-9-6-20(7-10-22)28-26-16-21(8-13-27(26)35-36-28)31(39)34-29(19-4-1-2-5-19)30-32-14-3-15-33-30/h3,6-10,13-16,19,23-25,29,38H,1-2,4-5,11-12,17-18H2,(H,34,39)(H,35,36)/t23-,24-,29-/s2
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50081607
PNG
(CHEMBL3422080)
Show SMILES O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C31H39N5O3/c37-30(32-21-31(12-2-1-3-13-31)35-14-16-38-17-15-35)23-6-11-28-27(18-23)29(34-33-28)22-4-7-24(8-5-22)36-25-9-10-26(36)20-39-19-25/h4-8,11,18,25-26H,1-3,9-10,12-17,19-21H2,(H,32,37)(H,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM194299
PNG
(US9199999, 37)
Show SMILES COC(=O)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H29N5O3/c1-17(2)14-27-24-25-28-15-22(18-8-10-19(11-9-18)26(33)30-20-12-13-20)31(25)16-21(29-24)6-4-5-7-23(32)34-3/h8-11,15-17,20H,5,7,12-14H2,1-3H3,(H,27,29)(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50081574
PNG
(CHEMBL3422086)
Show SMILES O=C(N[C@@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C31H33N5O2/c37-31(33-30(20-5-1-2-6-20)28-7-3-4-16-32-28)22-10-15-27-26(17-22)29(35-34-27)21-8-11-23(12-9-21)36-24-13-14-25(36)19-38-18-24/h3-4,7-12,15-17,20,24-25,30H,1-2,5-6,13-14,18-19H2,(H,33,37)(H,34,35)/t24?,25?,30-/s2
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
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=1/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-/s2
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50072900
PNG
(CHEMBL3410073)
Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N
Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)
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n/an/a 1.30n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


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


(Homo sapiens (Human))
BDBM50081609
PNG
(CHEMBL3422084)
Show SMILES O=C(N[C@@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50081600
PNG
(CHEMBL3422099)
Show SMILES OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC1CC1)c1ccccn1
Show InChI InChI=1/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/s2
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n/an/a 1.5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
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=1/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-/s2
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n/an/a 1.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM194291
PNG
(US9199999, 29)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCc1ccccc1
Show InChI InChI=1S/C29H29N5O/c1-20(2)17-30-27-28-31-18-26(22-11-13-23(14-12-22)29(35)33-24-15-16-24)34(28)19-25(32-27)10-6-9-21-7-4-3-5-8-21/h3-5,7-8,11-14,18-20,24H,9,15-17H2,1-2H3,(H,30,32)(H,33,35)
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US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50081598
PNG
(CHEMBL3422097)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3[C@H]4CC[C@H]3CC(O)C4)c2c1)c1ccccn1
Show InChI InChI=1/C31H35N5O2/c1-19(2)15-29(28-5-3-4-14-32-28)33-31(38)21-8-13-27-26(16-21)30(35-34-27)20-6-9-22(10-7-20)36-23-11-12-24(36)18-25(37)17-23/h3-10,13-14,16,19,23-25,29,37H,11-12,15,17-18H2,1-2H3,(H,33,38)(H,34,35)/t23-,24-,29-/s2
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n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


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


(Homo sapiens (Human))
BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of human MPS1 expressed in Escherichia coli


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


(Homo sapiens (Human))
BDBM50081595
PNG
(CHEMBL3422093)
Show SMILES OC1C[C@@H]2CC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ccccn1
Show InChI InChI=1/C32H35N5O2/c38-26-18-24-13-14-25(19-26)37(24)23-11-8-21(9-12-23)30-27-17-22(10-15-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-16-33-29/h3-4,7-12,15-17,20,24-26,31,38H,1-2,5-6,13-14,18-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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n/an/a 1.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM194303
PNG
(US9199999, 41 | US9199999, 45)
Show SMILES CNC(=O)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H30N6O2/c1-17(2)14-28-24-25-29-15-22(18-8-10-19(11-9-18)26(34)31-20-12-13-20)32(25)16-21(30-24)6-4-5-7-23(33)27-3/h8-11,15-17,20H,5,7,12-14H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)
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n/an/a 1.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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)

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


(Homo sapiens (Human))
BDBM50081552
PNG
(CHEMBL3422063)
Show SMILES CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl
Show InChI InChI=1/C29H31ClN4O2/c1-3-26(23-6-4-5-7-25(23)30)31-29(35)20-10-13-27-24(18-20)28(33-32-27)19-8-11-21(12-9-19)36-22-14-16-34(2)17-15-22/h4-13,18,22,26H,3,14-17H2,1-2H3,(H,31,35)(H,32,33)/t26-/s2
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n/an/a 1.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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


(Homo sapiens (Human))
BDBM50386831
PNG
(CHEMBL2047959)
Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H32N8O3S/c1-34-19-14-17(30-10-12-31(13-11-30)35(2,32)33)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H3,24,25,26,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50386832
PNG
(CHEMBL2047960)
Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(=O)(=O)CCCN1CCOCC1
Show InChI InChI=1S/C29H43N9O4S/c1-41-25-20-23(37-11-13-38(14-12-37)43(39,40)19-5-10-36-15-17-42-18-16-36)8-9-24(25)33-29-34-27-26(30-21-31-27)28(35-29)32-22-6-3-2-4-7-22/h8-9,20-22H,2-7,10-19H2,1H3,(H3,30,31,32,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mps1


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


(Homo sapiens (Human))
BDBM50081573
PNG
(CHEMBL3422085)
Show SMILES O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50081571
PNG
(CHEMBL3422083)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)c1ccccc1Cl
Show InChI InChI=1/C30H31ClN4O2/c1-18(2)28(24-5-3-4-6-26(24)31)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h3-11,14-15,18,22-23,28H,12-13,16-17H2,1-2H3,(H,32,36)(H,33,34)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM50443962
PNG
(CHEMBL3092039)
Show SMILES COc1cc(ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N6O3S/c1-35-24-17-21(31-13-15-32(16-14-31)36(2,33)34)11-12-22(24)29-26-27-18-19-7-6-10-23(25(19)30-26)28-20-8-4-3-5-9-20/h6-7,10-12,17-18,20,28H,3-5,8-9,13-16H2,1-2H3,(H,27,29,30)
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Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length Mps1 kinase (unknown origin)


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


(Homo sapiens (Human))
BDBM50386831
PNG
(CHEMBL2047959)
Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H32N8O3S/c1-34-19-14-17(30-10-12-31(13-11-30)35(2,32)33)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H3,24,25,26,27,28,29)
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Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length Mps1 kinase (unknown origin)


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


(Homo sapiens (Human))
BDBM50081601
PNG
(CHEMBL3422102)
Show SMILES OC1C[C@@H]2COC[C@@H](C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1
Show InChI InChI=1/C32H35N5O3/c38-26-16-24-18-40-19-25(17-26)37(24)23-11-8-21(9-12-23)30-27-15-22(10-13-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-14-33-29/h3-4,7-15,20,24-26,31,38H,1-2,5-6,16-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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n/an/a 2.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM194305
PNG
(US9199999, 43)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C29H28N6O2/c1-18(2)15-31-27-28-32-16-25(20-8-10-22(11-9-20)29(37)34-23-13-14-23)35(28)17-24(33-27)12-5-19-3-6-21(7-4-19)26(30)36/h3-4,6-11,16-18,23H,13-15H2,1-2H3,(H2,30,36)(H,31,33)(H,34,37)
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n/an/a 2.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50072900
PNG
(CHEMBL3410073)
Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N
Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)
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n/an/a 2.5n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


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


(Homo sapiens (Human))
BDBM194308
PNG
(US9199999, 46)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H28N6O3S/c1-18(2)15-30-26-27-31-16-25(20-6-8-21(9-7-20)28(35)33-22-11-12-22)34(27)17-23(32-26)10-3-19-4-13-24(14-5-19)38(29,36)37/h4-9,13-14,16-18,22H,11-12,15H2,1-2H3,(H,30,32)(H,33,35)(H2,29,36,37)
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n/an/a 2.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50081605
PNG
(CHEMBL3422077)
Show SMILES O=CN1[C@H]2CC[C@@H]1C[C@@H](C2)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCC1)c1ccsc1
Show InChI InChI=1/C31H32N4O3S/c36-18-35-23-7-8-24(35)16-26(15-23)38-25-9-4-20(5-10-25)30-27-14-21(6-11-28(27)33-34-30)31(37)32-29(19-2-1-3-19)22-12-13-39-17-22/h4-6,9-14,17-19,23-24,26,29H,1-3,7-8,15-16H2,(H,32,37)(H,33,34)/t23-,24+,26+,29?
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n/an/a 2.5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


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


(Homo sapiens (Human))
BDBM194275
PNG
(US9199999, 13)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC(C)(C)O
Show InChI InChI=1S/C25H29N5O2/c1-16(2)13-26-22-23-27-14-21(30(23)15-20(28-22)11-12-25(3,4)32)17-5-7-18(8-6-17)24(31)29-19-9-10-19/h5-8,14-16,19,32H,9-10,13H2,1-4H3,(H,26,28)(H,29,31)
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n/an/a 2.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...


US Patent US9199999 (2015)

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


(Homo sapiens (Human))
BDBM50072905
PNG
(CHEMBL3410078)
Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)
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n/an/a 2.60n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


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


(Homo sapiens (Human))
BDBM50081551
PNG
(CHEMBL3422062)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
Show InChI InChI=1/C30H32N4O2/c1-34-17-15-25(16-18-34)36-24-12-9-22(10-13-24)29-26-19-23(11-14-27(26)32-33-29)30(35)31-28(21-7-8-21)20-5-3-2-4-6-20/h2-6,9-14,19,21,25,28H,7-8,15-18H2,1H3,(H,31,35)(H,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


Citation and Details
More data for this
Ligand-Target Pair
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