Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 305.3 BDBM50208642

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 protein kinase CLK1 (Homo sapiens (Human))	BDBM50208642 (CHEMBL3883943) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cncc(OC)c3)C#N)c2c1 Show InChI InChI=1S/C18H15N3O2/c1-22-14-3-4-18-16(7-14)17(11-21-18)13(8-19)5-12-6-15(23-2)10-20-9-12/h3-7,9-11,21H,1-2H3/b13-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50208642 (CHEMBL3883943) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cncc(OC)c3)C#N)c2c1 Show InChI InChI=1S/C18H15N3O2/c1-22-14-3-4-18-16(7-14)17(11-21-18)13(8-19)5-12-6-15(23-2)10-20-9-12/h3-7,9-11,21H,1-2H3/b13-5+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50208642 (CHEMBL3883943) Show SMILES COc1ccc2[nH]cc(\C(=C\c3cncc(OC)c3)C#N)c2c1 Show InChI InChI=1S/C18H15N3O2/c1-22-14-3-4-18-16(7-14)17(11-21-18)13(8-19)5-12-6-15(23-2)10-20-9-12/h3-7,9-11,21H,1-2H3/b13-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair