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Compile Data Set for Download or QSAR

Found 177 hits Enz. Inhib. hit(s) with all data for entry = 50043796   
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))		BDBM50446451
PNG
(CHEMBL3109945)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)
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n/an/a 3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446432
PNG
(CHEMBL3109938)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C30H36ClN7O3/c1-30(2,3)41-29(40)38-25(21-17-33-36(6)18-21)14-20-16-32-27(15-26(20)38)34-24-8-7-19(13-23(24)31)28(39)37-11-9-22(10-12-37)35(4)5/h7-8,13-18,22H,9-12H2,1-6H3,(H,32,34)
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n/an/a 4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446428
PNG
(CHEMBL3109939)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H29ClN6O5S/c1-27(2,3)39-26(36)34-22(19-15-30-32(4)16-19)12-18-14-29-24(13-23(18)34)31-21-6-5-17(11-20(21)28)25(35)33-7-9-40(37,38)10-8-33/h5-6,11-16H,7-10H2,1-4H3,(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446442
PNG
(CHEMBL3109950)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C18H18N6O2S/c1-24(2)27(25,26)15-5-3-14(4-6-15)22-18-8-17-12(9-19-18)7-16(23-17)13-10-20-21-11-13/h3-11,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446431
PNG
(CHEMBL3109933)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C25H27ClN6O3/c1-25(2,3)35-24(34)32-20(17-13-28-31(6)14-17)10-16-12-27-22(11-21(16)32)29-19-8-7-15(9-18(19)26)23(33)30(4)5/h7-14H,1-6H3,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446443
PNG
(CHEMBL3109936)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H27ClN6O3/c1-26(2,3)36-25(35)33-21(18-14-29-31(4)15-18)11-17-13-28-23(12-22(17)33)30-20-7-6-16(10-19(20)27)24(34)32-8-5-9-32/h6-7,10-15H,5,8-9H2,1-4H3,(H,28,30)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50349102
PNG
(CHEMBL1236095 | US11208696, Example 3)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446445
PNG
(CHEMBL2140523)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446464
PNG
(CHEMBL3109972)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2[nH]1
Show InChI InChI=1S/C22H21ClN6O3S/c1-28-13-16(12-25-28)19-9-15-11-24-21(10-20(15)26-19)27-18-3-2-14(8-17(18)23)22(30)29-4-6-33(31,32)7-5-29/h2-3,8-13,26H,4-7H2,1H3,(H,24,27)
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n/an/a 8n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50420401
PNG
(CHEMBL2089255 | US11208696, Example 31)
Show SMILES CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446444
PNG
(CHEMBL3109937)
Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C29H33ClN6O4/c1-29(2,3)40-28(38)36-24(20-16-32-34(4)17-20)13-19-15-31-26(14-25(19)36)33-23-7-6-18(12-22(23)30)27(37)35-10-8-21(39-5)9-11-35/h6-7,12-17,21H,8-11H2,1-5H3,(H,31,33)
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n/an/a 11n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446463
PNG
(CHEMBL3109970)
Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C24H25ClN6O2/c1-30-14-17(13-27-30)21-10-16-12-26-23(11-22(16)28-21)29-20-4-3-15(9-19(20)25)24(32)31-7-5-18(33-2)6-8-31/h3-4,9-14,18,28H,5-8H2,1-2H3,(H,26,29)
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n/an/a 13n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446437
PNG
(CHEMBL3109967)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C20H19ClN6O/c1-26(2)20(28)12-4-5-16(15(21)6-12)25-19-8-18-13(9-22-19)7-17(24-18)14-10-23-27(3)11-14/h4-11,24H,1-3H3,(H,22,25)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446450
PNG
(CHEMBL3109941)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-22(19-13-30-33(5)15-19)9-17-11-28-24(10-23(17)34)31-21-7-6-16(8-20(21)27)18-12-29-32(4)14-18/h6-15H,1-5H3,(H,28,31)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446442
PNG
(CHEMBL3109950)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C18H18N6O2S/c1-24(2)27(25,26)15-5-3-14(4-6-15)22-18-8-17-12(9-19-18)7-16(23-17)13-10-20-21-11-13/h3-11,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446434
PNG
(CHEMBL3109942)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2[nH]1
Show InChI InChI=1S/C21H18ClN7/c1-28-11-15(9-24-28)13-3-4-18(17(22)5-13)27-21-7-20-14(8-23-21)6-19(26-20)16-10-25-29(2)12-16/h3-12,26H,1-2H3,(H,23,27)
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n/an/a 17n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446448
PNG
(CHEMBL3109944)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnco3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H23ClN6O3/c1-25(2,3)35-24(33)32-20(17-11-29-31(4)13-17)8-16-10-28-23(9-21(16)32)30-19-6-5-15(7-18(19)26)22-12-27-14-34-22/h5-14H,1-4H3,(H,28,30)
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n/an/a 19n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446430
PNG
(CHEMBL3109971)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C25H28ClN7O/c1-31(2)19-6-8-33(9-7-19)25(34)16-4-5-21(20(26)10-16)30-24-12-23-17(13-27-24)11-22(29-23)18-14-28-32(3)15-18/h4-5,10-15,19,29H,6-9H2,1-3H3,(H,27,30)
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n/an/a 20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446440
PNG
(CHEMBL3109943)
Show SMILES Cn1ccc(n1)-c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-22(18-14-29-33(5)15-18)11-17-13-28-24(12-23(17)34)30-21-7-6-16(10-19(21)27)20-8-9-32(4)31-20/h6-15H,1-5H3,(H,28,30)
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n/an/a 20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446462
PNG
(CHEMBL3109956)
Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)c(Cl)c1
Show InChI InChI=1S/C17H14ClN5O/c1-24-12-2-3-14(13(18)5-12)23-17-6-16-10(7-19-17)4-15(22-16)11-8-20-21-9-11/h2-9,22H,1H3,(H,19,23)(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446449
PNG
(CHEMBL3109948)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H24ClN7O2/c1-26(2,3)36-25(35)34-22(19-13-31-33(4)14-19)8-17-12-30-24(9-23(17)34)32-21-6-5-16(7-20(21)27)18-10-28-15-29-11-18/h5-15H,1-4H3,(H,30,32)
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n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446441
PNG
(CHEMBL3109951)
Show SMILES C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
Show InChI InChI=1S/C20H17N7/c1-6-24-27(7-1)13-14-2-4-17(5-3-14)25-20-9-19-15(10-21-20)8-18(26-19)16-11-22-23-12-16/h1-12,26H,13H2,(H,21,25)(H,22,23)
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n/an/a 21n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446435
PNG
(CHEMBL3109940)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnco2)c(Cl)c1
Show InChI InChI=1S/C24H24ClN5O4/c1-24(2,3)34-23(32)30-18-10-21(27-11-15(18)9-19(30)20-12-26-13-33-20)28-17-7-6-14(8-16(17)25)22(31)29(4)5/h6-13H,1-5H3,(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446461
PNG
(CHEMBL3109968)
Show SMILES COc1cc(ccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(=O)N(C)C
Show InChI InChI=1S/C21H22N6O2/c1-26(2)21(28)13-5-6-16(19(8-13)29-4)25-20-9-18-14(10-22-20)7-17(24-18)15-11-23-27(3)12-15/h5-12,24H,1-4H3,(H,22,25)
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n/an/a 23n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446460
PNG
(CHEMBL3109953)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C17H15N5O/c1-23-16-5-3-2-4-13(16)22-17-7-15-11(8-18-17)6-14(21-15)12-9-19-20-10-12/h2-10,21H,1H3,(H,18,22)(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446439
PNG
(CHEMBL3109932 | US10688093, Compound 809_2678_0263...)
Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
Show InChI InChI=1S/C18H17N5O2/c1-24-16-4-3-13(6-17(16)25-2)22-18-7-15-11(8-19-18)5-14(23-15)12-9-20-21-10-12/h3-10,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446459
PNG
(CHEMBL3109962)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnco1
Show InChI InChI=1S/C17H14N4O2/c1-22-15-5-3-2-4-12(15)21-17-7-13-11(8-19-17)6-14(20-13)16-9-18-10-23-16/h2-10,20H,1H3,(H,19,21)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446441
PNG
(CHEMBL3109951)
Show SMILES C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
Show InChI InChI=1S/C20H17N7/c1-6-24-27(7-1)13-14-2-4-17(5-3-14)25-20-9-19-15(10-21-20)8-18(26-19)16-11-22-23-12-16/h1-12,26H,13H2,(H,21,25)(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446465
PNG
(CHEMBL3109969)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C19H19ClN6O2S/c1-25(2)29(27,28)14-4-5-16(15(20)7-14)24-19-8-18-12(9-21-19)6-17(23-18)13-10-22-26(3)11-13/h4-11,23H,1-3H3,(H,21,24)
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n/an/a 27n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446467
PNG
(CHEMBL3109955)
Show SMILES Clc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H12ClN5/c17-12-3-1-2-4-13(12)22-16-6-15-10(7-18-16)5-14(21-15)11-8-19-20-9-11/h1-9,21H,(H,18,22)(H,19,20)
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n/an/a 28n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446446
PNG
(CHEMBL3109946)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cccnc3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H25ClN6O2/c1-27(2,3)36-26(35)34-23(20-15-31-33(4)16-20)11-19-14-30-25(12-24(19)34)32-22-8-7-17(10-21(22)28)18-6-5-9-29-13-18/h5-16H,1-4H3,(H,30,32)
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n/an/a 28n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446447
PNG
(CHEMBL3109947)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnccn3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H24ClN7O2/c1-26(2,3)36-25(35)34-22(18-13-31-33(4)15-18)10-17-12-30-24(11-23(17)34)32-20-6-5-16(9-19(20)27)21-14-28-7-8-29-21/h5-15H,1-4H3,(H,30,32)
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n/an/a 32n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446469
PNG
(CHEMBL3109949)
Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C17H15N5O/c1-23-14-4-2-13(3-5-14)21-17-7-16-11(8-18-17)6-15(22-16)12-9-19-20-10-12/h2-10,22H,1H3,(H,18,21)(H,19,20)
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n/an/a 39n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446439
PNG
(CHEMBL3109932 | US10688093, Compound 809_2678_0263...)
Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
Show InChI InChI=1S/C18H17N5O2/c1-24-16-4-3-13(6-17(16)25-2)22-18-7-15-11(8-19-18)5-14(23-15)12-9-20-21-10-12/h3-10,23H,1-2H3,(H,19,22)(H,20,21)
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n/an/a 43n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446451
PNG
(CHEMBL3109945)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31)
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n/an/a 43n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446469
PNG
(CHEMBL3109949)
Show SMILES COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C17H15N5O/c1-23-14-4-2-13(3-5-14)21-17-7-16-11(8-18-17)6-15(22-16)12-9-19-20-10-12/h2-10,22H,1H3,(H,18,21)(H,19,20)
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n/an/a 51n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446468
PNG
(CHEMBL3109954)
Show SMILES CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)
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n/an/a 58n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446436
PNG
(CHEMBL3109952)
Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)
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n/an/a 63n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446438
PNG
(CHEMBL3109934)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H22ClN5O2/c1-22(2,3)30-21(29)28-18(15-12-25-27(4)13-15)9-14-11-24-20(10-19(14)28)26-17-8-6-5-7-16(17)23/h5-13H,1-4H3,(H,24,26)
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n/an/a 71n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446457
PNG
(CHEMBL3109966)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C17H14ClN5/c1-23-10-12(9-20-23)15-6-11-8-19-17(7-16(11)21-15)22-14-5-3-2-4-13(14)18/h2-10,21H,1H3,(H,19,22)
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n/an/a 74n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446455
PNG
(CHEMBL3109958)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(CC(F)(F)F)c1
Show InChI InChI=1S/C19H16F3N5O/c1-28-17-5-3-2-4-14(17)26-18-7-16-12(8-23-18)6-15(25-16)13-9-24-27(10-13)11-19(20,21)22/h2-10,25H,11H2,1H3,(H,23,26)
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n/an/a 79n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446453
PNG
(CHEMBL3109935)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Show InChI InChI=1S/C24H27ClN6O4S/c1-24(2,3)35-23(32)31-20(16-13-27-30(6)14-16)9-15-12-26-22(11-21(15)31)28-19-8-7-17(10-18(19)25)36(33,34)29(4)5/h7-14H,1-6H3,(H,26,28)
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n/an/a 92n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446458
PNG
(CHEMBL3109957)
Show SMILES COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C18H17N5O/c1-23-11-13(10-20-23)15-7-12-9-19-18(8-16(12)21-15)22-14-5-3-4-6-17(14)24-2/h3-11,21H,1-2H3,(H,19,22)
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n/an/a 120n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT...

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446450
PNG
(CHEMBL3109941)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-22(19-13-30-33(5)15-19)9-17-11-28-24(10-23(17)34)31-21-7-6-16(8-20(21)27)18-12-29-32(4)14-18/h6-15H,1-5H3,(H,28,31)
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n/an/a 160n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50349102
PNG
(CHEMBL1236095 | US11208696, Example 3)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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n/an/a 160n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446435
PNG
(CHEMBL3109940)
Show SMILES CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnco2)c(Cl)c1
Show InChI InChI=1S/C24H24ClN5O4/c1-24(2,3)34-23(32)30-18-10-21(27-11-15(18)9-19(30)20-12-26-13-33-20)28-17-7-6-14(8-16(17)25)22(31)29(4)5/h6-13H,1-5H3,(H,27,28)
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n/an/a 160n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446449
PNG
(CHEMBL3109948)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H24ClN7O2/c1-26(2,3)36-25(35)34-22(19-13-31-33(4)14-19)8-17-12-30-24(9-23(17)34)32-21-6-5-16(7-20(21)27)18-10-28-15-29-11-18/h5-15H,1-4H3,(H,30,32)
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n/an/a 210n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50446436
PNG
(CHEMBL3109952)
Show SMILES C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C22H24N6O2/c1-3-19(30-10-7-28-5-8-29-9-6-28)4-2-18(1)26-22-12-21-16(13-23-22)11-20(27-21)17-14-24-25-15-17/h1-4,11-15,27H,5-10H2,(H,23,26)(H,24,25)
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n/an/a 230n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446443
PNG
(CHEMBL3109936)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H27ClN6O3/c1-26(2,3)36-25(35)33-21(18-14-29-31(4)15-18)11-17-13-28-23(12-22(17)33)30-20-7-6-16(10-19(20)27)24(34)32-8-5-9-32/h6-7,10-15H,5,8-9H2,1-4H3,(H,28,30)
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n/an/a 230n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50446448
PNG
(CHEMBL3109944)
Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnco3)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H23ClN6O3/c1-25(2,3)35-24(33)32-20(17-11-29-31(4)13-17)8-16-10-28-23(9-21(16)32)30-19-6-5-15(7-18(19)26)22-12-27-14-34-22/h5-14H,1-4H3,(H,28,30)
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n/an/a 260n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132

J Med Chem 56: 10045-65 (2013)


Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W
More data for this
Ligand-Target Pair
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