Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.2 BDBM50435476

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 CLK4 (Homo sapiens (Human))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.68E+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 protein kinase CLK4 (Homo sapiens (Human))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	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	4.65E+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)				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))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.46E+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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	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	5.82E+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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	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))	BDBM50435476 (CHEMBL2392362) Show SMILES COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-24-14-4-2-3-13(10-14)17-7-8-21-18(23-17)22-11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)	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