Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3 BDBM50070528

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))	BDBM50070528 (CHEMBL3408804) Show SMILES COc1ccc(c(F)c1)-c1cnc2sc3c(N)ncnc3c2c1 Show InChI InChI=1S/C16H11FN4OS/c1-22-9-2-3-10(12(17)5-9)8-4-11-13-14(15(18)21-7-20-13)23-16(11)19-6-8/h2-7H,1H3,(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	71	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)	BDBM50070528 (CHEMBL3408804) Show SMILES COc1ccc(c(F)c1)-c1cnc2sc3c(N)ncnc3c2c1 Show InChI InChI=1S/C16H11FN4OS/c1-22-9-2-3-10(12(17)5-9)8-4-11-13-14(15(18)21-7-20-13)23-16(11)19-6-8/h2-7H,1H3,(H2,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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