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PubMed code 25625617

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))		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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
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 2.80n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072910
PNG
(CHEMBL3410083)
Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)
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n/an/a 3.20n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072902
PNG
(CHEMBL3410075)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12
Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)
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n/an/a 3.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072904
PNG
(CHEMBL3410077)
Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)
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n/an/a 3.70n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072899
PNG
(CHEMBL3410072)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(nn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O2/c30-16-19-1-3-21(4-2-19)25-15-26(31-17-20-11-13-37-14-12-20)28-32-18-27(35(28)34-25)22-5-7-23(8-6-22)29(36)33-24-9-10-24/h1-8,15,18,20,24,31H,9-14,17H2,(H,33,36)
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n/an/a 4.20n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072908
PNG
(CHEMBL3410081)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)
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n/an/a 4.20n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072908
PNG
(CHEMBL3410081)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)
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n/an/a 5.30n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072909
PNG
(CHEMBL3410082)
Show SMILES CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C25H32N6O2/c1-16(2)28-23-13-21(26-14-17-9-11-33-12-10-17)24-27-15-22(31(24)30-23)18-3-5-19(6-4-18)25(32)29-20-7-8-20/h3-6,13,15-17,20,26H,7-12,14H2,1-2H3,(H,28,30)(H,29,32)
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n/an/a 5.5n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072907
PNG
(CHEMBL3410080)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCCC3)nn12
Show InChI InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35)
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n/an/a 5.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072903
PNG
(CHEMBL3410076)
Show SMILES Fc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(cc4)C(=O)NC4CC4)n3n2)cc1
Show InChI InChI=1S/C28H28FN5O3/c29-21-5-9-23(10-6-21)37-26-15-24(30-16-18-11-13-36-14-12-18)27-31-17-25(34(27)33-26)19-1-3-20(4-2-19)28(35)32-22-7-8-22/h1-6,9-10,15,17-18,22,30H,7-8,11-14,16H2,(H,32,35)
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n/an/a 5.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072910
PNG
(CHEMBL3410083)
Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)
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n/an/a 6.20n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072898
PNG
(CHEMBL3410071)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O2/c30-15-19-1-3-21(4-2-19)25-18-35-26(22-5-7-23(8-6-22)29(36)33-24-9-10-24)17-32-28(35)27(34-25)31-16-20-11-13-37-14-12-20/h1-8,17-18,20,24H,9-14,16H2,(H,31,34)(H,33,36)
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n/an/a 6.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072907
PNG
(CHEMBL3410080)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCCC3)nn12
Show InChI InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35)
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n/an/a 6.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072904
PNG
(CHEMBL3410077)
Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)
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n/an/a 6.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072902
PNG
(CHEMBL3410075)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12
Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)
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n/an/a 6.80n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072901
PNG
(CHEMBL3410074)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(OC3CCCCC3)nn12
Show InChI InChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)
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n/an/a 7.5n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072903
PNG
(CHEMBL3410076)
Show SMILES Fc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(cc4)C(=O)NC4CC4)n3n2)cc1
Show InChI InChI=1S/C28H28FN5O3/c29-21-5-9-23(10-6-21)37-26-15-24(30-16-18-11-13-36-14-12-18)27-31-17-25(34(27)33-26)19-1-3-20(4-2-19)28(35)32-22-7-8-22/h1-6,9-10,15,17-18,22,30H,7-8,11-14,16H2,(H,32,35)
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n/an/a 7.80n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072909
PNG
(CHEMBL3410082)
Show SMILES CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C25H32N6O2/c1-16(2)28-23-13-21(26-14-17-9-11-33-12-10-17)24-27-15-22(31(24)30-23)18-3-5-19(6-4-18)25(32)29-20-7-8-20/h3-6,13,15-17,20,26H,7-12,14H2,1-2H3,(H,28,30)(H,29,32)
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n/an/a 8.40n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072897
PNG
(CHEMBL3410070)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)
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n/an/a 8.5n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072899
PNG
(CHEMBL3410072)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(nn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O2/c30-16-19-1-3-21(4-2-19)25-15-26(31-17-20-11-13-37-14-12-20)28-32-18-27(35(28)34-25)22-5-7-23(8-6-22)29(36)33-24-9-10-24/h1-8,15,18,20,24,31H,9-14,17H2,(H,33,36)
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n/an/a 9.60n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072898
PNG
(CHEMBL3410071)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O2/c30-15-19-1-3-21(4-2-19)25-18-35-26(22-5-7-23(8-6-22)29(36)33-24-9-10-24)17-32-28(35)27(34-25)31-16-20-11-13-37-14-12-20/h1-8,17-18,20,24H,9-14,16H2,(H,31,34)(H,33,36)
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n/an/a 12n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072906
PNG
(CHEMBL3410079)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Nc3ccccc3)nn12
Show InChI InChI=1S/C28H30N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h1-9,16,18-19,23,29H,10-15,17H2,(H,31,33)(H,32,35)
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n/an/a 13n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072901
PNG
(CHEMBL3410074)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(OC3CCCCC3)nn12
Show InChI InChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)
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n/an/a 33n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072906
PNG
(CHEMBL3410079)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Nc3ccccc3)nn12
Show InChI InChI=1S/C28H30N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h1-9,16,18-19,23,29H,10-15,17H2,(H,31,33)(H,32,35)
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n/an/a 33n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072895
PNG
(CHEMBL3410068)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nccn12
Show InChI InChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)
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n/an/a 35n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072894
PNG
(CHEMBL3410067)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CC3)nccn12
Show InChI InChI=1S/C20H21N5O/c26-20(24-16-7-8-16)15-5-3-14(4-6-15)17-12-23-19-18(21-9-10-25(17)19)22-11-13-1-2-13/h3-6,9-10,12-13,16H,1-2,7-8,11H2,(H,21,22)(H,24,26)
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n/an/a 39n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072897
PNG
(CHEMBL3410070)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)
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n/an/a 45n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072833
PNG
(CHEMBL3410060 | US11208696, Example 2)
Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)
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n/an/a 55n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072896
PNG
(CHEMBL3410069)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCc3cccs3)nccn12
Show InChI InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)
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n/an/a 58n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072837
PNG
(CHEMBL3410064)
Show SMILES CCCNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C19H21N5O/c1-2-9-20-17-18-22-12-16(24(18)11-10-21-17)13-3-5-14(6-4-13)19(25)23-15-7-8-15/h3-6,10-12,15H,2,7-9H2,1H3,(H,20,21)(H,23,25)
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n/an/a 69n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072839
PNG
(CHEMBL3410066)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCc3ccccc3)nccn12
Show InChI InChI=1S/C23H21N5O/c29-23(27-19-10-11-19)18-8-6-17(7-9-18)20-15-26-22-21(24-12-13-28(20)22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15,19H,10-11,14H2,(H,24,25)(H,27,29)
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n/an/a 130n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072834
PNG
(CHEMBL3410061)
Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CCC1
Show InChI InChI=1S/C21H25N5O/c1-14(2)12-23-19-20-24-13-18(26(20)11-10-22-19)15-6-8-16(9-7-15)21(27)25-17-4-3-5-17/h6-11,13-14,17H,3-5,12H2,1-2H3,(H,22,23)(H,25,27)
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KEGG

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n/an/a 180n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072895
PNG
(CHEMBL3410068)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nccn12
Show InChI InChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)
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n/an/a 380n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072835
PNG
(CHEMBL3410062)
Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC(C)C
Show InChI InChI=1S/C20H25N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)15-5-7-16(8-6-15)20(26)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,22)(H,24,26)
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n/an/a 460n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072838
PNG
(CHEMBL3410065)
Show SMILES CC(C)Nc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C19H21N5O/c1-12(2)22-17-18-21-11-16(24(18)10-9-20-17)13-3-5-14(6-4-13)19(25)23-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,20,22)(H,23,25)
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n/an/a 490n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50072836
PNG
(CHEMBL3410063)
Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C17H19N5O/c1-11(2)9-20-16-17-21-10-14(22(17)8-7-19-16)12-3-5-13(6-4-12)15(18)23/h3-8,10-11H,9H2,1-2H3,(H2,18,23)(H,19,20)
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n/an/a 2.50E+3n/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

J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%