BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2192 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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM412656
PNG
(US10399974, Example 54)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-27-14-33(23)7)9-10-19(20)30-24-26-13-18-11-15(2)28-22(21(18)31-24)29-16(3)25(4,5)6/h9-14,16H,8H2,1-7H3,(H,28,29)(H,26,30,31)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
0.0470n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241208
PNG
(US9409907, 50)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C24H29N7O/c1-15-26-13-19(31(15)5)16-7-8-18(20(11-16)32-6)29-23-27-12-17-9-10-25-22(21(17)30-23)28-14-24(2,3)4/h7-13H,14H2,1-6H3,(H,25,28)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0840n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50464039
PNG
(CHEMBL4245639)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O/c1-6-33-19-10-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(3,4)13-32/h7-11,14H,6,12-13H2,1-5H3,(H,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0880n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241333
PNG
(US10479788, Example 177 | US9409907, 177)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C25H31N7O/c1-15-10-18-12-27-24(31-22(18)23(29-15)28-14-25(3,4)5)30-19-9-8-17(11-21(19)33-7)20-13-26-16(2)32(20)6/h8-13H,14H2,1-7H3,(H,28,29)(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0940n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...


ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...


ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412611
PNG
(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1C
Show InChI InChI=1S/C26H30N8O2/c1-4-36-21-12-18(23-32-28-16-33(23)3)5-6-20(21)30-25-27-13-19-11-17(2)29-24(22(19)31-25)34-14-26(15-34)7-9-35-10-8-26/h5-6,11-13,16H,4,7-10,14-15H2,1-3H3,(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241338
PNG
(US10479788, Example 182 | US9409907, 182)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50464037
PNG
(CHEMBL4240502)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(CCN(C)C)n1C
Show InChI InChI=1S/C28H39N9O/c1-9-38-22-15-19(26-35-34-23(37(26)8)12-13-36(6)7)10-11-21(22)32-27-29-16-20-14-18(2)31-25(24(20)33-27)30-17-28(3,4)5/h10-11,14-16H,9,12-13,17H2,1-8H3,(H,30,31)(H,29,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412614
PNG
(N2-(4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-2-ethox...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-31-16(3)33(23)7)9-10-19(20)29-24-26-13-18-11-15(2)28-22(21(18)30-24)27-14-25(4,5)6/h9-13H,8,14H2,1-7H3,(H,27,28)(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241335
PNG
(US9409907, 179)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O/c1-14-9-16-11-24-22(29-19(16)20(27-14)25-12-23(2,3)4)28-17-8-7-15(10-18(17)32-6)21-30-26-13-31(21)5/h7-11,13H,12H2,1-6H3,(H,25,27)(H,24,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50464040
PNG
(CHEMBL4251352)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12
Show InChI InChI=1S/C25H30N8O/c1-15-11-17-13-26-24(30-21(17)22(28-15)27-14-25(2,3)4)29-18-9-8-16(12-19(18)34-5)23-32-31-20-7-6-10-33(20)23/h8-9,11-13H,6-7,10,14H2,1-5H3,(H,27,28)(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412610
PNG
(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H25N9O/c1-5-34-19-9-16(21-31-27-14-32(21)4)6-7-18(19)29-23-26-10-17-8-15(2)28-22(20(17)30-23)33-12-24(3,11-25)13-33/h6-10,14H,5,12-13H2,1-4H3,(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241235
PNG
(US10479788, Example 77 | 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
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50464038
PNG
(CHEMBL4250961)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12
Show InChI InChI=1S/C26H32N8O/c1-6-35-20-13-17(24-33-32-21-8-7-11-34(21)24)9-10-19(20)30-25-27-14-18-12-16(2)29-23(22(18)31-25)28-15-26(3,4)5/h9-10,12-14H,6-8,11,15H2,1-5H3,(H,28,29)(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.380n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241226
PNG
(US10479788, Example 68 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241226
PNG
(US10479788, Example 68 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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))
BDBM50512455
PNG
(CHEMBL4436510)
Show SMILES Cc1nc(ccc1Nc1nc(NC(C)(C)CO)c2c(c[nH]c2n1)C#N)N1CCOCC1
Show InChI InChI=1S/C21H26N8O2/c1-13-15(4-5-16(24-13)29-6-8-31-9-7-29)25-20-26-18-17(14(10-22)11-23-18)19(27-20)28-21(2,3)12-30/h4-5,11,30H,6-9,12H2,1-3H3,(H3,23,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<0.5n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (510 to 857 residues) catalytic domain (unknown origin) expressed in Escherichia coli after 15 mins by mass-spectrometry analysis


Eur J Med Chem 175: 247-268 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.047
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50512458
PNG
(CHEMBL4450240)
Show SMILES Cc1nc(ccc1Nc1nc(NC2CCOCC2)c2c(c[nH]c2n1)C#N)N1CCOCC1
Show InChI InChI=1S/C22H26N8O2/c1-14-17(2-3-18(25-14)30-6-10-32-11-7-30)27-22-28-20-19(15(12-23)13-24-20)21(29-22)26-16-4-8-31-9-5-16/h2-3,13,16H,4-11H2,1H3,(H3,24,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<0.5n/an/an/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (510 to 857 residues) catalytic domain (unknown origin) expressed in Escherichia coli after 15 mins by mass-spectrometry analysis


Eur J Med Chem 175: 247-268 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.047
More data for this
Ligand-Target Pair
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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...


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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
BDBM241207
PNG
(US9409907, 49)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1C
Show InChI InChI=1S/C24H29N7O/c1-15-18(13-28-31(15)5)16-7-8-19(20(11-16)32-6)29-23-26-12-17-9-10-25-22(21(17)30-23)27-14-24(2,3)4/h7-13H,14H2,1-6H3,(H,25,27)(H,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.780n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM412658
PNG
(US10399974, Example 56)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H26N8O/c1-4-32-19-12-16(21-29-25-14-30(21)3)7-8-18(19)27-23-24-13-17-11-15(2)26-22(20(17)28-23)31-9-5-6-10-31/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
0.820n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241213
PNG
(US10479788, Example 55 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
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
(US10479788, Example 58 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
(US10479788, Example 37 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
(US10479788, Example 65 | 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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM412644
PNG
(US10399974, Example 42)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC3(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C24H28N8O/c1-6-33-19-12-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-13-17-11-15(2)27-22(20(17)29-23)32-10-9-24(32,3)4/h7-8,11-14H,6,9-10H2,1-5H3,(H,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241234
PNG
(US10479788, Example 76 | 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
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM241206
PNG
(US9409907, 48)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cn(C)nc1C
Show InChI InChI=1S/C24H29N7O/c1-15-18(13-31(5)30-15)16-7-8-19(20(11-16)32-6)28-23-26-12-17-9-10-25-22(21(17)29-23)27-14-24(2,3)4/h7-13H,14H2,1-6H3,(H,25,27)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...


J Med Chem 61: 8226-8240 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00690
BindingDB Entry DOI: 10.7270/Q2J105S9
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

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 | US10590114, No. 80 | US9932325, Ex...)
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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50341520
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465481
PNG
(CHEMBL4291472)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1)c1ccccc1
Show InChI InChI=1S/C19H17N5O2/c25-17(12-4-2-1-3-5-12)23-16-10-13(11-21-18(16)26)15-8-9-20-19(24-15)22-14-6-7-14/h1-5,8-11,14H,6-7H2,(H,21,26)(H,23,25)(H,20,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465478
PNG
(CHEMBL4286130)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50341532
PNG
(3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465486
PNG
(CHEMBL4282263)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C12H13N5O/c13-9-5-7(6-15-11(9)18)10-3-4-14-12(17-10)16-8-1-2-8/h3-6,8H,1-2,13H2,(H,15,18)(H,14,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465477
PNG
(CHEMBL4285109)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O3/c1-24-15-4-2-3-13(9-15)17(22)21-16-10-14(11-20-18(16)23)12-5-7-19-8-6-12/h2-11H,1H3,(H,20,23)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.48E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465485
PNG
(CHEMBL4292538)
Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(N)c1
Show InChI InChI=1S/C10H11N5O/c1-12-10-13-3-2-8(15-10)6-4-7(11)9(16)14-5-6/h2-5H,11H2,1H3,(H,14,16)(H,12,13,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.56E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465492
PNG
(CHEMBL4292942)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H17N3O4/c1-25-15-7-13(8-16(10-15)26-2)18(23)22-17-9-14(11-21-19(17)24)12-3-5-20-6-4-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.01E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465484
PNG
(CHEMBL4280308)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccnc2ccccc12
Show InChI InChI=1S/C14H11N3O/c15-12-7-9(8-17-14(12)18)10-5-6-16-13-4-2-1-3-11(10)13/h1-8H,15H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.02E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM34651
PNG
(Amrinon | Amrinone | CHEMBL12856 | Cordemcura | IN...)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.08E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465483
PNG
(CHEMBL4291350)
Show SMILES COc1ncc(cc1N)-c1ccncc1
Show InChI InChI=1S/C11H11N3O/c1-15-11-10(12)6-9(7-14-11)8-2-4-13-5-3-8/h2-7H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
9.12E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465482
PNG
(CHEMBL4288628)
Show SMILES Cn1cc(cn1)-c1c[nH]c(=O)c(N)c1
Show InChI InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
9.47E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465489
PNG
(CHEMBL1201292)
Show SMILES Nc1cc(c[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C10H9N3O/c11-9-4-8(6-13-10(9)14)7-2-1-3-12-5-7/h1-6H,11H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
9.81E+4n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50465494
PNG
(CHEMBL4279867)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C17H11F2N3O2/c18-13-5-11(6-14(19)8-13)16(23)22-15-7-12(9-21-17(15)24)10-1-3-20-4-2-10/h1-9H,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assa...


Bioorg Med Chem 26: 3021-3029 (2018)


Article DOI: 10.1016/j.bmc.2018.04.033
BindingDB Entry DOI: 10.7270/Q2736TKN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2192 total )  |  Next  |  Last  >>
Jump to: