Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 245.2 BDBM50154345

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

Found 5 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))	BDBM50154345 (CHEMBL3775538) Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1 Show InChI InChI=1S/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 1A (Homo sapiens (Human))	BDBM50154345 (CHEMBL3775538) Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1 Show InChI InChI=1S/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+	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	1.08E+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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50154345 (CHEMBL3775538) Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1 Show InChI InChI=1S/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50154345 (CHEMBL3775538) Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1 Show InChI InChI=1S/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+	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
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50154345 (CHEMBL3775538) Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1 Show InChI InChI=1S/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+	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	>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 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