Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.3 BDBM50070553

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))	BDBM50070553 (CHEMBL3408801) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(F)cc1F Show InChI InChI=1S/C15H8F2N4S/c16-8-1-2-9(11(17)4-8)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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)	BDBM50070553 (CHEMBL3408801) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(F)cc1F Show InChI InChI=1S/C15H8F2N4S/c16-8-1-2-9(11(17)4-8)7-3-10-12-13(14(18)21-6-20-12)22-15(10)19-5-7/h1-6H,(H2,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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