Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 292.2 BDBM50385583

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 (Mus musculus)	BDBM50385583 (CHEMBL2041917) Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1 Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50385583 (CHEMBL2041917) Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1 Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli using Woodtide as substrate and [gamma-33P] after 30 mins by scintillati...				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50385583 (CHEMBL2041917) Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1 Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25				Eur J Med Chem 54: 626-36 (2012) Article DOI: 10.1016/j.ejmech.2012.06.012 BindingDB Entry DOI: 10.7270/Q21R6RKH
					More data for this Ligand-Target Pair