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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 = 'BDBM50330559'   
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))
BDBM50330559
PNG
(CHEMBL1277382 | N-(4-Trifluoromethylbenzyl)-4-fura...)
Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
Show InChI InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-10-8-14(9-11-15)23(24,25)26)20(18-7-4-12-32-18)30-17-6-3-2-5-16(17)29-22(30)27-13/h2-12,19-20H,1H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair