Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.2 BDBM50435488

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 protein kinase CLK4 (Homo sapiens (Human))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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 1B (Homo sapiens (Human))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	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	129	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 CLK2 (Homo sapiens (Human))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	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	330	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))	BDBM50435488 (CHEMBL1892019) Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+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 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