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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 = 'BDBM50335607'   
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))
BDBM50335607
PNG
(1-(4'-(6-bromo-7-(4-((5-methylisoxazol-3-yl)methyl...)
Show SMILES CC(=O)c1cccc(c1)-c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C29H27BrN6O2/c1-18-14-24(34-38-18)17-35-10-12-36(13-11-35)27-25(30)16-31-29-26(27)32-28(33-29)21-8-6-20(7-9-21)23-5-3-4-22(15-23)19(2)37/h3-9,14-16H,10-13,17H2,1-2H3,(H,31,32,33)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)