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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50326206'   
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))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair