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BDBM26309 CHEMBL459888::N-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)phenyl]-3-(trifluoromethyl)benzamide::thieno[3,2-d]pyrimidine analogue, 1

SMILES: FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1

InChI Key: InChIKey=LSCKUUOMMSYITN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26309   
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))
BDBM26309
PNG
(CHEMBL459888 | N-[4-(2-{thieno[3,2-d]pyrimidin-4-y...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1
Show InChI InChI=1S/C22H17F3N4OS/c23-22(24,25)16-3-1-2-15(12-16)21(30)29-17-6-4-14(5-7-17)8-10-26-20-19-18(9-11-31-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,29,30)(H,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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
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))
BDBM26309
PNG
(CHEMBL459888 | N-[4-(2-{thieno[3,2-d]pyrimidin-4-y...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1
Show InChI InChI=1S/C22H17F3N4OS/c23-22(24,25)16-3-1-2-15(12-16)21(30)29-17-6-4-14(5-7-17)8-10-26-20-19-18(9-11-31-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,29,30)(H,26,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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)


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