Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM50435468

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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(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	25	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))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
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 CLK4 (Homo sapiens (Human))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(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	75	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))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(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	120	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))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(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	130	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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(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	180	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 CLK2 (Homo sapiens (Human))	BDBM50435468 (CHEMBL1885536) Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1 Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	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