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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 = 'BDBM50170831'   
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))
BDBM50170831
PNG
(CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Myrexis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aur B


Bioorg Med Chem Lett 22: 4377-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50170831
PNG
(CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length His-tagged human Aurora B expressed in baculovirus expression system


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126885
BindingDB Entry DOI: 10.7270/Q27P92X1
More data for this
Ligand-Target Pair