Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 211.2 BDBM50185005

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 tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50185005 (CHEMBL3823483) Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	28	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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50185005 (CHEMBL3823483) Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	41	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				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50185005 (CHEMBL3823483) Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1 Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	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