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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 = 'BDBM50330560'   
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))
BDBM50330560
PNG
(CHEMBL1277293 | N-(4-Methoxybenzyl)-4-furan-2-meth...)
Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28|
Show InChI InChI=1S/C23H20N4O3/c1-14-20(22(28)25-15-9-11-16(29-2)12-10-15)21(19-8-5-13-30-19)27-18-7-4-3-6-17(18)26-23(27)24-14/h3-13,20-21H,1-2H3,(H,25,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.58E+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