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2 similar compounds to monomer 50446463

Compile data set for download or QSAR
Wt: 477.9
BDBM50446430
Wt: 394.8
BDBM50446437

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50446430,50446437   
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
Aurora kinase B


(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 3.40E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length Aurora B (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))
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 4.10E+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
Aurora kinase A


(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>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
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
Aurora kinase A


(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>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))
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 7.80E+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))
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 5.20E+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
Aurora kinase B


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



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length Aurora B (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))
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)
PDB
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Article
PubMed
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