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PubMed code 29778892

Compile data set for download or QSAR
Found 48 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))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a 74n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a 98n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a 270n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a 290n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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n/an/a 740n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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PubMed
n/an/a 760n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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n/an/a 1.67E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406878
PNG
(CHEMBL4166150)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H22N4O3/c1-2-28-21(26)19-20(24-18-9-4-3-8-17(18)23-19)22-15-6-5-7-16(14-15)25-10-12-27-13-11-25/h3-9,14H,2,10-13H2,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406892
PNG
(CHEMBL4159749)
Show SMILES [K;v0+].[#7]-c1ccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)cc1
Show InChI InChI=1S/C15H12N4O2/c16-9-5-7-10(8-6-9)17-14-13(15(20)21)18-11-3-1-2-4-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406880
PNG
(CHEMBL4170384)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(N)cc1
Show InChI InChI=1S/C17H16N4O2/c1-2-23-17(22)15-16(19-12-9-7-11(18)8-10-12)21-14-6-4-3-5-13(14)20-15/h3-10H,2,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406884
PNG
(CHEMBL4168687)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C17H15N3O3/c1-2-23-17(22)15-16(18-11-6-5-7-12(21)10-11)20-14-9-4-3-8-13(14)19-15/h3-10,21H,2H2,1H3,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406886
PNG
(CHEMBL4169579)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1cccc(N)c1
Show InChI InChI=1S/C17H16N4O2/c1-2-23-17(22)15-16(19-12-7-5-6-11(18)10-12)21-14-9-4-3-8-13(14)20-15/h3-10H,2,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406890
PNG
(CHEMBL4173649)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C17H15N3O3/c1-2-23-17(22)15-16(18-11-7-9-12(21)10-8-11)20-14-6-4-3-5-13(14)19-15/h3-10,21H,2H2,1H3,(H,18,20)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50407008
PNG
(CHEMBL4170051)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc3ccccc3nc2C(O)=O)cc1
Show InChI InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406887
PNG
(CHEMBL4162709)
Show SMILES NC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H19N5O2/c20-18(25)17-19(23-16-7-2-1-6-15(16)22-17)21-13-4-3-5-14(12-13)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H2,20,25)(H,21,23)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406888
PNG
(CHEMBL4175950)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H16N4O2/c1-2-25-19(24)17-18(23-16-6-4-3-5-15(16)22-17)21-13-7-8-14-12(11-13)9-10-20-14/h3-11,20H,2H2,1H3,(H,21,23)
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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University of Tours

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406889
PNG
(CHEMBL4168098)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H12N4O2/c22-17(23)15-16(21-14-4-2-1-3-13(14)20-15)19-11-5-6-12-10(9-11)7-8-18-12/h1-9,18H,(H,19,21)(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406881
PNG
(CHEMBL4177174)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C17H15N3O3/c1-2-23-17(22)15-16(20-13-9-5-6-10-14(13)21)19-12-8-4-3-7-11(12)18-15/h3-10,21H,2H2,1H3,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50406989
PNG
(CHEMBL4162053)
Show SMILES CCOC(=O)c1nc2ccccc2nc1Nc1ccc(cc1)C1CCN(C)CC1
Show InChI InChI=1S/C27H26N6O2/c1-4-20-15-24(26-23(28-20)13-14-25(29-26)35-17(2)3)34-16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)27-30-32-33-31-27/h5-15,17H,4,16H2,1-3H3,(H,30,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%