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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 = 'BDBM50315844'   
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))
BDBM50315844
PNG
(CHEMBL1093879 | N-(pyridin-2-ylmethyl)-6-(pyrrolid...)
Show SMILES C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
Show InChI InChI=1S/C25H25N5/c1-2-8-19(9-3-1)11-12-22-21-16-24(27-18-20-10-4-5-13-26-20)25(17-23(21)29-28-22)30-14-6-7-15-30/h1-5,8-13,16-17,27H,6-7,14-15,18H2,(H,28,29)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence


Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair