Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3 BDBM50342917

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

Found 6 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 (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	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	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50342917 (CHEMBL1329627 | ethyl 5-(4-((5-methylfuran-2-yl)me...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1 Show InChI InChI=1S/C21H19N3O4/c1-3-26-21(25)19-9-8-18(28-19)14-5-7-17-16(10-14)20(24-12-23-17)22-11-15-6-4-13(2)27-15/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)	PDB 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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair