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Compile Data Set for Download or QSAR

Found 907 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
PDB
MMDB

KEGG

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PubMed
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
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)
PDB
MMDB

KEGG

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Article
PubMed
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))
BDBM236661
PNG
(US9388140, 2)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.200n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236684
PNG
(US9388140, 25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
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AffyNet 
n/an/a 0.200n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236713
PNG
(US9388140, 54)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.200n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

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Article
PubMed
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC sid
UniChem

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Article
PubMed
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))
BDBM236715
PNG
(US9388140, 56)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.300n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236695
PNG
(US9388140, 36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.400n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236697
PNG
(US9388140, 38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.400n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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Article
PubMed
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))
BDBM236683
PNG
(US9388140, 24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.400n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236747
PNG
(US9388140, 91)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.400n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236668
PNG
(US9388140, 9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.400n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236673
PNG
(US9388140, 14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236696
PNG
(US9388140, 37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236674
PNG
(US9388140, 15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.600n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236766
PNG
(US9388140, 111)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.600n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236675
PNG
(US9388140, 16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.600n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
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))
BDBM236714
PNG
(US9388140, 55)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236663
PNG
(US9388140, 4)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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))
BDBM236692
PNG
(US9388140, 33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236776
PNG
(US9388140, 114A)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236739
PNG
(US9388140, 83)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236703
PNG
(US9388140, 44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.700n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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))
BDBM236761
PNG
(US9388140, 106)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.900n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236710
PNG
(US9388140, 51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.900n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236711
PNG
(US9388140, 52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.900n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236688
PNG
(US9388140, 29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
AffyNet 
n/an/a 0.900n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM230915
PNG
(US9334286, 41)
PDB
MMDB

KEGG

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

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


(Homo sapiens (Human))
BDBM229974
PNG
(US9334286, 2)
PDB
MMDB

KEGG

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

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)
PDB
MMDB

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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)
PDB
MMDB

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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)
PDB
MMDB

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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))
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)
PDB
MMDB

KEGG

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US Patent
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))
BDBM236735
PNG
(US9388140, 77)
PDB
MMDB

KEGG

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Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

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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))
BDBM236725
PNG
(US9388140, 67)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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


(Homo sapiens (Human))
BDBM236778
PNG
(US9388140, 116A)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9388140 (2016)

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)
PDB
MMDB

KEGG

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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))
BDBM230979
PNG
(US9334286, 106)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

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


(Homo sapiens (Human))
BDBM230978
PNG
(US9334286, 105)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

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


(Homo sapiens (Human))
BDBM230976
PNG
(US9334286, 103)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

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)
PDB
MMDB

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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))
BDBM230969
PNG
(US9334286, 95)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent




US Patent US9334286 (2016)

More data for this
Ligand-Target Pair
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