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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50384006'   
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))
BDBM50384006
PNG
(CHEMBL2032274)
Show SMILES Nc1ncc(cc1-c1nc2ccc(O)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H20N6O2/c21-19-16(20-25-17-2-1-15(27)8-18(17)28-20)7-12(9-23-19)13-10-24-26(11-13)14-3-5-22-6-4-14/h1-2,7-11,14,22,27H,3-6H2,(H2,21,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 22: 4044-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.083
BindingDB Entry DOI: 10.7270/Q2FF3TC4
More data for this
Ligand-Target Pair