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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50446465   
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))
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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Article
PubMed
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
Cyclin-A2/Cyclin-dependent kinase 2


(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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Article
PubMed
n/an/a 7.90E+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
Aurora kinase A


(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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PubMed
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
Aurora kinase B


(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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Article
PubMed
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