Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.3 BDBM50435478

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

Found 7 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 (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin) by bioluminescence assay				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	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
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1B (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	PDB 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
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK2 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435478 (CHEMBL1331525) Show SMILES C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N4O2/c1-2-12(7-18-5-1)8-20-17-14(9-19-10-21-17)13-3-4-15-16(6-13)23-11-22-15/h1-7,9-10H,8,11H2,(H,19,20,21)	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by bioluminescence assay				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair