Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.3 BDBM50392599

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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50392599 (CHEMBL2153530) Show SMILES Oc1ccc(Nc2ncnc3c2sc2ncccc32)cc1[N+]([O-])=O Show InChI InChI=1S/C15H9N5O3S/c21-11-4-3-8(6-10(11)20(22)23)19-14-13-12(17-7-18-14)9-2-1-5-16-15(9)24-13/h1-7,21H,(H,17,18,19)	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£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50392599 (CHEMBL2153530) Show SMILES Oc1ccc(Nc2ncnc3c2sc2ncccc32)cc1[N+]([O-])=O Show InChI InChI=1S/C15H9N5O3S/c21-11-4-3-8(6-10(11)20(22)23)19-14-13-12(17-7-18-14)9-2-1-5-16-15(9)24-13/h1-7,21H,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50392599 (CHEMBL2153530) Show SMILES Oc1ccc(Nc2ncnc3c2sc2ncccc32)cc1[N+]([O-])=O Show InChI InChI=1S/C15H9N5O3S/c21-11-4-3-8(6-10(11)20(22)23)19-14-13-12(17-7-18-14)9-2-1-5-16-15(9)24-13/h1-7,21H,(H,17,18,19)	PDB UniProtKB/SwissProt 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£ de Rouen Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...				Eur J Med Chem 58: 171-83 (2012) Article DOI: 10.1016/j.ejmech.2012.10.006 BindingDB Entry DOI: 10.7270/Q21G0NCJ
					More data for this Ligand-Target Pair