Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.7 BDBM50435491

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))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	277	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))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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 protein kinase CLK4 (Homo sapiens (Human))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	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	558	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))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	871	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))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+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 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))	BDBM50435491 (CHEMBL2392359) Show SMILES COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O/c1-23-16-8-4-14(5-9-16)17-10-11-20-18(22-17)21-12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3,(H,20,21,22)	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	2.07E+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 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