Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 241.2 BDBM50185004

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

Found 3 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))	BDBM50185004 (CHEMBL3823532) Show SMILES Nc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1 Show InChI InChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50185004 (CHEMBL3823532) Show SMILES Nc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1 Show InChI InChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 30 mins in presen...				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50185004 (CHEMBL3823532) Show SMILES Nc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1 Show InChI InChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CDK5/p25 expressed in Escherichia coli using histone H1 as substrate incubated for 30 mins in presence of ...				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
					More data for this Ligand-Target Pair