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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50443500'   
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))
BDBM50443500
PNG
(CHEMBL3087784)
Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H19ClN6O2/c1-14-18(13-31(2)30-14)22-28-20-21(19(25)12-26-23(20)29-22)33-17-10-8-15(9-11-17)24(32)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,27,32)(H,26,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.27E+4n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50443500
PNG
(CHEMBL3087784)
Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H19ClN6O2/c1-14-18(13-31(2)30-14)22-28-20-21(19(25)12-26-23(20)29-22)33-17-10-8-15(9-11-17)24(32)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,27,32)(H,26,28,29)
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n/an/a 2.47E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal Myc tagged aurora-B-mediated histone H3 phosphorylation at S10 in human HCT116 cells after 2 hrs


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
Aurora kinase B


(Homo sapiens (Human))
BDBM50443500
PNG
(CHEMBL3087784)
Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H19ClN6O2/c1-14-18(13-31(2)30-14)22-28-20-21(19(25)12-26-23(20)29-22)33-17-10-8-15(9-11-17)24(32)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,27,32)(H,26,28,29)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.68E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal Myc tagged aurora-B-mediated histone H3 phosphorylation at S10 in human HeLa cells after 2 hrs


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