Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 218.2 BDBM50154356Purchase

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50154356 (CHEMBL3775969) Show SMILES COc1ccc(\C=C2/CC(C)OC2=O)cc1 Show InChI InChI=1S/C13H14O3/c1-9-7-11(13(14)16-9)8-10-3-5-12(15-2)6-4-10/h3-6,8-9H,7H2,1-2H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...				Eur J Med Chem 112: 209-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.017 BindingDB Entry DOI: 10.7270/Q2GF0WC4
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50154356 (CHEMBL3775969) Show SMILES COc1ccc(\C=C2/CC(C)OC2=O)cc1 Show InChI InChI=1S/C13H14O3/c1-9-7-11(13(14)16-9)8-10-3-5-12(15-2)6-4-10/h3-6,8-9H,7H2,1-2H3/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...				Eur J Med Chem 112: 209-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.017 BindingDB Entry DOI: 10.7270/Q2GF0WC4
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50154356 (CHEMBL3775969) Show SMILES COc1ccc(\C=C2/CC(C)OC2=O)cc1 Show InChI InChI=1S/C13H14O3/c1-9-7-11(13(14)16-9)8-10-3-5-12(15-2)6-4-10/h3-6,8-9H,7H2,1-2H3/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...				Eur J Med Chem 112: 209-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.017 BindingDB Entry DOI: 10.7270/Q2GF0WC4
					More data for this Ligand-Target Pair