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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM26297'   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM26297
PNG
(CHEMBL215322 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H29F2N7O3/c1-2-35(10-11-36)9-4-12-38-18-7-8-19-22(15-18)29-16-30-26(19)32-23-13-17(33-34-23)14-24(37)31-21-6-3-5-20(27)25(21)28/h3,5-8,13,15-16,36H,2,4,9-12,14H2,1H3,(H,31,37)(H2,29,30,32,33,34)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
160 -38.8n/an/an/an/an/an/a25



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...


J Med Chem 50: 2213-24 (2007)


Article DOI: 10.1021/jm061335f
BindingDB Entry DOI: 10.7270/Q2GQ6W24
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM26297
PNG
(CHEMBL215322 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H29F2N7O3/c1-2-35(10-11-36)9-4-12-38-18-7-8-19-22(15-18)29-16-30-26(19)32-23-13-17(33-34-23)14-24(37)31-21-6-3-5-20(27)25(21)28/h3,5-8,13,15-16,36H,2,4,9-12,14H2,1H3,(H,31,37)(H2,29,30,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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