Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.3 BDBM50392607

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))	BDBM50392607 (CHEMBL2153538) Show SMILES C1COc2cc(Nc3ncnc4c3sc3cccnc43)ccc2O1 Show InChI InChI=1S/C17H12N4O2S/c1-2-13-14(18-5-1)15-16(24-13)17(20-9-19-15)21-10-3-4-11-12(8-10)23-7-6-22-11/h1-5,8-9H,6-7H2,(H,19,20,21)	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))	BDBM50392607 (CHEMBL2153538) Show SMILES C1COc2cc(Nc3ncnc4c3sc3cccnc43)ccc2O1 Show InChI InChI=1S/C17H12N4O2S/c1-2-13-14(18-5-1)15-16(24-13)17(20-9-19-15)21-10-3-4-11-12(8-10)23-7-6-22-11/h1-5,8-9H,6-7H2,(H,19,20,21)	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)	BDBM50392607 (CHEMBL2153538) Show SMILES C1COc2cc(Nc3ncnc4c3sc3cccnc43)ccc2O1 Show InChI InChI=1S/C17H12N4O2S/c1-2-13-14(18-5-1)15-16(24-13)17(20-9-19-15)21-10-3-4-11-12(8-10)23-7-6-22-11/h1-5,8-9H,6-7H2,(H,19,20,21)	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