Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 245.2 BDBM50466854

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 CLK1 (Homo sapiens (Human))	BDBM50466854 (CHEMBL4291088) Show SMILES CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3| Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50466854 (CHEMBL4291088) Show SMILES CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3| Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of DYRK2 (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50466854 (CHEMBL4291088) Show SMILES CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3| Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of CLK2 (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50466854 (CHEMBL4291088) Show SMILES CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3| Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair