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PubMed code 26890118

Compile data set for download or QSAR
Found 8 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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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Article
PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal GST-HIS6-tagged PIM1 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Dual serine/threonine and tyrosine protein kinase


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human RIPK5 by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase tousled-like 1


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG, C-terminal HIS8-tagged TLK1 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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Article
PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal GST-HIS6-tagged PIM3 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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Article
PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal GST-HIS6-tagged Aurora B expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAP3K7 by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
Aurora kinase C


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal GST-HIS6-tagged Aurora C expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50154291
PNG
(CHEMBL3775181)
Show SMILES CS(O)(=O)=O.Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H18N2O6.CH4O3S/c1-9-13(22(29)24-7-6-10(23)8-24)16-19(27)14-15(20(28)21(16)30-9)18(26)12-5-3-2-4-11(12)17(14)25;1-5(2,3)4/h2-5,10,27-28H,6-8,23H2,1H3;1H3,(H,2,3,4)/t10-;/m0./s1
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PubMed
n/an/a<5.00E+3n/an/an/an/an/an/a



Russia; Mendeleyev University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human MKNK1 by flashplate based radiometric 33pan-quinase assay


Eur J Med Chem 112: 114-29 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.050
BindingDB Entry DOI: 10.7270/Q2VQ34K1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%