Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.2 BDBM50435475

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

Found 4 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))	BDBM50435475 (CHEMBL2392366) Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H17Cl2N3O2/c1-25-17-6-4-13(10-18(17)26-2)16-7-8-22-19(24-16)23-11-12-3-5-14(20)15(21)9-12/h3-10H,11H2,1-2H3,(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	>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 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 CLK1 (Homo sapiens (Human))	BDBM50435475 (CHEMBL2392366) Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H17Cl2N3O2/c1-25-17-6-4-13(10-18(17)26-2)16-7-8-22-19(24-16)23-11-12-3-5-14(20)15(21)9-12/h3-10H,11H2,1-2H3,(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	>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 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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435475 (CHEMBL2392366) Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H17Cl2N3O2/c1-25-17-6-4-13(10-18(17)26-2)16-7-8-22-19(24-16)23-11-12-3-5-14(20)15(21)9-12/h3-10H,11H2,1-2H3,(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	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
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50435475 (CHEMBL2392366) Show SMILES COc1ccc(cc1OC)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C19H17Cl2N3O2/c1-25-17-6-4-13(10-18(17)26-2)16-7-8-22-19(24-16)23-11-12-3-5-14(20)15(21)9-12/h3-10H,11H2,1-2H3,(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	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 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