new BindingDB logo
myBDB logout

BDBM26311 3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea::CHEMBL461999::thieno[3,2-d]pyrimidine analogue, 6

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1

InChI Key: InChIKey=UZICNABHDZJWBD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26311   
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
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM26311
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
Show InChI InChI=1S/C22H18F3N5OS/c23-22(24,25)15-2-1-3-17(12-15)30-21(31)29-16-6-4-14(5-7-16)8-10-26-20-19-18(9-11-32-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,26,27,28)(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26311
PNG
(3-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
Show InChI InChI=1S/C22H18F3N5OS/c23-22(24,25)15-2-1-3-17(12-15)30-21(31)29-16-6-4-14(5-7-16)8-10-26-20-19-18(9-11-32-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,26,27,28)(H2,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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)

More data for this
Ligand-Target Pair