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BDBM26316 3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]urea::CHEMBL513076::thieno[3,2-d]pyrimidine analogue, 11

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1

InChI Key: InChIKey=IBZIMOXPGQXXBE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26316   
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 A


(Homo sapiens (Human))
BDBM26316
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)26-17(29)28-18-27-13(9-31-18)4-6-23-16-15-14(5-7-30-15)24-10-25-16/h1-3,5,7-10H,4,6H2,(H,23,24,25)(H2,26,27,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26316
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)26-17(29)28-18-27-13(9-31-18)4-6-23-16-15-14(5-7-30-15)24-10-25-16/h1-3,5,7-10H,4,6H2,(H,23,24,25)(H2,26,27,28,29)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair