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6 similar compounds to monomer 50259314

Compile data set for download or QSAR
Wt: 212.2
BDBM50178427
Purchase
Wt: 212.2
BDBM50178432
Purchase
Wt: 283.3
BDBM50259410
Wt: 350.3
BDBM50259411
Wt: 376.3
BDBM50259412
Wt: 391.4
BDBM50259315

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50178427,50178432,50259410,50259411,50259412,50259315   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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54n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]DAMGO binding to Opioid receptor mu


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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n/an/a 172n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259412
PNG
(CHEMBL4080844)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C19H19F3N4O/c1-2-15(12-27)24-17-8-9-18-23-11-16(26(18)25-17)7-6-13-4-3-5-14(10-13)19(20,21)22/h3-11,15,27H,2,12H2,1H3,(H,24,25)/b7-6+/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50259410
PNG
(CHEMBL4100956)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12(10-21)18-14-5-6-15-17-9-13(20(15)19-14)11-4-3-7-16-8-11/h3-9,12,21H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50259411
PNG
(CHEMBL4086402)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C17H17F3N4O/c1-2-13(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-12(8-11)17(18,19)20/h3-9,13,25H,2,10H2,1H3,(H,22,23)/t13-/m0/s1
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n/an/a 8.20E+4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis


Eur J Med Chem 125: 696-709 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50178427
PNG
((1R,2S)-1,2-diphenylethane-1,2-diamine | CHEMBL206...)
Show SMILES N[C@@H]([C@@H](N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+
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Article
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n/an/a 7.50E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 1405-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.038
BindingDB Entry DOI: 10.7270/Q25M659R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50178432
PNG
((1R,2R)-1,2-diphenylethane-1,2-diamine | (R,R)-(+)...)
Show SMILES N[C@@H]([C@H](N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 1405-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.038
BindingDB Entry DOI: 10.7270/Q25M659R
More data for this
Ligand-Target Pair