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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50443496'   
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 B


(Homo sapiens (Human))
BDBM50443496
PNG
(CHEMBL3087774)
Show SMILES CC(=O)NCc1cccc(c1)-c1c([nH]c2ncc(Cl)cc12)-c1cnn(C)c1
Show InChI InChI=1S/C20H18ClN5O/c1-12(27)22-8-13-4-3-5-14(6-13)18-17-7-16(21)10-23-20(17)25-19(18)15-9-24-26(2)11-15/h3-7,9-11H,8H2,1-2H3,(H,22,27)(H,23,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 97n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins


J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair