Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.7 BDBM50097858

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

Found 9 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 CLK1 (Mus musculus)	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50097858 (CHEMBL3589669) Show SMILES CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O Show InChI InChI=1S/C18H13ClN2O3/c1-2-24-9-6-7-10-13(8-9)20-17(18(22)23)14-11-4-3-5-12(19)15(11)21-16(10)14/h3-8,21H,2H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair