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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 230.6
BDBM50259361

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   
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
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


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


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against thrombin (FIIa); n=2


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


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50259361
PNG
(CHEMBL4076906)
Show SMILES Clc1ccc2ncc(-c3cccnc3)n2n1
Show InChI InChI=1S/C11H7ClN4/c12-10-3-4-11-14-7-9(16(11)15-10)8-2-1-5-13-6-8/h1-7H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

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)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair