Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4 BDBM50342902

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))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	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))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	798	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))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	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	1.44E+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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+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 CLK2 (Homo sapiens (Human))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.51E+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 protein kinase CLK3 (Homo sapiens (Human))	BDBM50342902 (CHEMBL1535925 | ethyl 5-(4-(thiophen-2-ylmethylami...) Show SMILES CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1 Show InChI InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)	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