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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 = 'BDBM50248293'   
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))
BDBM50248293
PNG
(CHEMBL473556 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C23H18N4O2S/c1-28-19-11-16-18(12-20(19)29-2)24-13-25-22(16)26-15-9-7-14(8-10-15)23-27-17-5-3-4-6-21(17)30-23/h3-13H,1-2H3,(H,24,25,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248293
PNG
(CHEMBL473556 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C23H18N4O2S/c1-28-19-11-16-18(12-20(19)29-2)24-13-25-22(16)26-15-9-7-14(8-10-15)23-27-17-5-3-4-6-21(17)30-23/h3-13H,1-2H3,(H,24,25,26)
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 350n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair