Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.3 BDBM50070559

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))	BDBM50070559 (CHEMBL3408800) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H9F3N4S/c17-16(18,19)10-3-1-8(2-4-10)9-5-11-12-13(14(20)23-7-22-12)24-15(11)21-6-9/h1-7H,(H2,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+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 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)	BDBM50070559 (CHEMBL3408800) Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H9F3N4S/c17-16(18,19)10-3-1-8(2-4-10)9-5-11-12-13(14(20)23-7-22-12)24-15(11)21-6-9/h1-7H,(H2,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+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