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12 similar compounds to monomer 50446443

Compile data set for download or QSAR
Wt: 585.0
BDBM50446428
Wt: 501.9
BDBM50446447
Wt: 490.9
BDBM50446448
Wt: 501.9
BDBM50446449
Wt: 503.9
BDBM50446450
Wt: 503.9
BDBM50446451
Purchase
Wt: 494.9
BDBM50446431
Wt: 578.1
BDBM50446432
Wt: 423.8
BDBM50446438
Wt: 503.9
BDBM50446440
Wt: 565.0
BDBM50446444
Wt: 500.9
BDBM50446446

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50446428,50446447,50446448,50446449,50446450,50446451,50446431,50446432,50446438,50446440,50446444,50446446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(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<1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
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
Cyclin-Dependent Kinase 2 (CDK2)


(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>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins


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))
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 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)
Cytochrome P450 2D6 (2D6)


(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<1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 1A


(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<1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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))
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 wild type Myc-ectopic MPS1 (unknown origin) expressed in human HCT116 cells assessed as autophosphorylation at Thr33/Ser37 after 2 hrs ...


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)
Cytochrome P450 3A


(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<1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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
Aurora kinase A


(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 5.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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
Aurora kinase A


(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 2.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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
Aurora kinase A


(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 1.70E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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))
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 3.40E+3n/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))
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 2.50E+3n/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))
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 1.10E+3n/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))
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 860n/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))
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 720n/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))
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 710n/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))
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 620n/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))
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 600n/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))
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
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
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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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))
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)
Cyclin-Dependent Kinase 2 (CDK2)


(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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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-Dependent Kinase 2 (CDK2)


(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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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-Dependent Kinase 2 (CDK2)


(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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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-Dependent Kinase 2 (CDK2)


(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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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-Dependent Kinase 2 (CDK2)


(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>4.00E+4n/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-Dependent Kinase 2 (CDK2)


(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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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-Dependent Kinase 2 (CDK2)


(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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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
Aurora kinase A


(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>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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-Dependent Kinase 2 (CDK2)


(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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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
Serine/threonine-protein kinase PLK1


(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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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


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
Serine/threonine-protein kinase Nek2


(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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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 (unknown origin)


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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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))
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))
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))
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))
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))
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
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))
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)
Aurora kinase A


(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 6.50E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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
Aurora kinase A


(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>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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
Aurora kinase A


(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>4.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-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-Dependent Kinase 2 (CDK2)


(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 2.80E+3n/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-Dependent Kinase 2 (CDK2)


(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 1.90E+3n/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-Dependent Kinase 2 (CDK2)


(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 750n/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-Dependent Kinase 2 (CDK2)


(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 680n/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
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