Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.3 BDBM50259573

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

Found 11 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/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 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) 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))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/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 protein kinase CLK2 (Mus musculus)	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/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 CLK2 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-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/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
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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 3 (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50259573 (CHEMBL4097368) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r| Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/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