Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 231.2 BDBM50154348

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

Found 6 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 2 (Homo sapiens (Human))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...				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 1A (Homo sapiens (Human))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...				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))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50154348 (CHEMBL3774704) Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1 Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP				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