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PubMed code 26048792

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50106220
PNG
(CHEMBL3598138)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cc3NC(=O)\C(=C/c4ccc[nH]4)c3cc2N2CCCC2)cc1
Show InChI InChI=1S/C25H22F3N5O2/c26-25(27,28)15-5-7-16(8-6-15)30-24(35)32-21-14-20-18(13-22(21)33-10-1-2-11-33)19(23(34)31-20)12-17-4-3-9-29-17/h3-9,12-14,29H,1-2,10-11H2,(H,31,34)(H2,30,32,35)/b19-12-
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kin...


Bioorg Med Chem Lett 25: 2937-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.043
BindingDB Entry DOI: 10.7270/Q2NK3GT2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50106221
PNG
(CHEMBL3598137)
Show SMILES CCN(CC)c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2cc1NC(C)=O
Show InChI InChI=1S/C19H22N4O2/c1-4-23(5-2)18-10-14-15(9-13-7-6-8-20-13)19(25)22-16(14)11-17(18)21-12(3)24/h6-11,20H,4-5H2,1-3H3,(H,21,24)(H,22,25)/b15-9-
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kin...


Bioorg Med Chem Lett 25: 2937-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.043
BindingDB Entry DOI: 10.7270/Q2NK3GT2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50106274
PNG
(CHEMBL3598118)
Show SMILES Fc1ccc(NC(=O)Nc2cc3NC(=O)\C(=C/c4ccc[nH]4)c3cc2N2CCOCC2)cc1
Show InChI InChI=1S/C24H22FN5O3/c25-15-3-5-16(6-4-15)27-24(32)29-21-14-20-18(13-22(21)30-8-10-33-11-9-30)19(23(31)28-20)12-17-2-1-7-26-17/h1-7,12-14,26H,8-11H2,(H,28,31)(H2,27,29,32)/b19-12-
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kin...


Bioorg Med Chem Lett 25: 2937-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.043
BindingDB Entry DOI: 10.7270/Q2NK3GT2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50106222
PNG
(CHEMBL3598119)
Show SMILES Fc1ccc(NC(=O)Nc2cc3NC(=O)\C(=C/c4ccc5OCOc5c4)c3cc2N2CCOCC2)cc1
Show InChI InChI=1S/C27H23FN4O5/c28-17-2-4-18(5-3-17)29-27(34)31-22-14-21-19(13-23(22)32-7-9-35-10-8-32)20(26(33)30-21)11-16-1-6-24-25(12-16)37-15-36-24/h1-6,11-14H,7-10,15H2,(H,30,33)(H2,29,31,34)/b20-11-
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PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kin...


Bioorg Med Chem Lett 25: 2937-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.043
BindingDB Entry DOI: 10.7270/Q2NK3GT2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%