Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 322.3 BDBM50070507

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

Found 2 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))	BDBM50070507 (CHEMBL3408807) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10N4O2S/c17-15-14-13(19-6-20-15)10-3-9(5-18-16(10)23-14)8-1-2-11-12(4-8)22-7-21-11/h1-6H,7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins				Eur J Med Chem 92: 124-34 (2015) Article DOI: 10.1016/j.ejmech.2014.12.038 BindingDB Entry DOI: 10.7270/Q2BR8TVG
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50070507 (CHEMBL3408807) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10N4O2S/c17-15-14-13(19-6-20-15)10-3-9(5-18-16(10)23-14)8-1-2-11-12(4-8)22-7-21-11/h1-6H,7H2,(H2,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...				Eur J Med Chem 92: 124-34 (2015) Article DOI: 10.1016/j.ejmech.2014.12.038 BindingDB Entry DOI: 10.7270/Q2BR8TVG
					More data for this Ligand-Target Pair