Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.3 BDBM50435441

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

Found 8 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))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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	10	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))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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 CLK1 (Homo sapiens (Human))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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	34	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))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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	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 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 CLK2 (Homo sapiens (Human))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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 protein kinase CLK4 (Homo sapiens (Human))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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	70	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))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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	70	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 CLK3 (Homo sapiens (Human))	BDBM50435441 (CHEMBL1868723) Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(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
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK3 (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